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Summary Geometry Related PDB entries

5AY

Summary

Name:	N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C20 H21 N7 O
Formal charge:	0
Formula weight:	375.427 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
OpenEye OEToolkits	1.9.2	N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(nc3n(c1NCc2cnn(c2)C)ncc3)OCC4C(C4)c5ccccn5
InChI	InChI	1.03	InChI=1S/C20H21N7O/c1-26-12-14(11-24-26)10-22-19-9-20(25-18-5-7-23-27(18)19)28-13-15-8-16(15)17-4-2-3-6-21-17/h2-7,9,11-12,15-16,22H,8,10,13H2,1H3/t15-,16+/m1/s1
InChIKey	InChI	1.03	YLPZTDCVMOWRPZ-CVEARBPZSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c4ccccn4)nc5ccnn25)cn1
SMILES	CACTVS	3.385	Cn1cc(CNc2cc(OC[CH]3C[CH]3c4ccccn4)nc5ccnn25)cn1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5
SMILES	OpenEye OEToolkits	1.9.2	Cn1cc(cn1)CNc2cc(nc3n2ncc3)OCC4CC4c5ccccn5

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건을2024-07-17부터공개중

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