AVR

(2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

Created:	2009-09-11
Last modified:	2020-06-05

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3 entries where AVR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	10

2D diagram of AVR

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Chemical Component Summary
Name	(2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
Synonyms	(R)-2-amino-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Formula	C₁₃ H₁₇ N₃ O
Molecular Weight	231.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(c1c2ccccn2nc1C(C)C)C(N)C
SMILES	CACTVS	3.352	CC(C)c1nn2ccccc2c1C(=O)[CH](C)N
SMILES	OpenEye OEToolkits	1.7.0	CC(C)c1c(c2ccccn2n1)C(=O)C(C)N
Canonical SMILES	CACTVS	3.352	CC(C)c1nn2ccccc2c1C(=O)[C@@H](C)N
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N
InChI	InChI	1.03	InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3/t9-/m1/s1
InChIKey	InChI	1.03	JLKPIOQFGACSJO-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	45490005

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.