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- ChemComp-UUP: N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UUP
NameName: N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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Chemical information

Composition
Formula: C10H10N4O / Number of atoms: 25 / Formula weight: 202.213 / Formal charge: 0
Others

5rjs

Type: non-polymer / PDB classification: HETAIN / Three letter code: UUP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RJS
History
Create componentJun 2, 2020
Initial releaseJun 17, 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 12.01n1n3cccnc3c(c1)C(NC2CC2)=O
CACTVS 3.385O=C(NC1CC1)c2cnn3cccnc23
OpenEye OEToolkits 2.0.7c1cnc2c(cnn2c1)C(=O)NC3CC3

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SMILES CANONICAL

CACTVS 3.385O=C(NC1CC1)c2cnn3cccnc23
OpenEye OEToolkits 2.0.7c1cnc2c(cnn2c1)C(=O)NC3CC3

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InChI

InChI 1.03InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)

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InChIKey

InChI 1.03IDVABKGFSZEUEE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits 2.0.7~{N}-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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PDB entries

Showing all 4 items

PDB-5rjs:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285642082

PDB-7hlk:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z285642082

PDB-9hd9:
Crystal structure of human TRF1 TRFH domain in complex with compound 1

PDB-9hf6:
Crystal structure of human TRF1 TRFH domain in complex with compound 1

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