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- ChemComp-QMY: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-y... -

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Basic information

EntryDatabase: PDB chemical components / ID: QMY
NameName: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine

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Chemical information

Composition
Formula: C18H15F2N5 / Number of atoms: 40 / Formula weight: 339.342 / Formal charge: 0
Others

5qtz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: QMY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QTZ
History
Create componentNov 22, 2019
Initial releaseFeb 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4
CACTVS 3.385Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
OpenEye OEToolkits 2.0.6Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
OpenEye OEToolkits 2.0.6Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3

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InChI

InChI 1.03InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3

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InChIKey

InChI 1.03WLMJUROXDOGLTR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine
OpenEye OEToolkits 2.0.66-[3-[2,2-bis(fluoranyl)ethyl]-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine

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PDB entries

Showing all 1 items

PDB-5qtz:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE

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