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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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count35
Aromatic Bond Count10
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
FormulaC13 H17 N3 O
Molecular Weight231.294
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(c1c2ccccn2nc1C(C)C)C(N)C
SMILESCACTVS3.352CC(C)c1nn2ccccc2c1C(=O)[CH](C)N
SMILESOpenEye OEToolkits1.7.0CC(C)c1c(c2ccccn2n1)C(=O)C(C)N
Canonical SMILESCACTVS3.352 CC(C)c1nn2ccccc2c1C(=O)[C@@H](C)N
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N
InChIInChI1.03 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
InChIKeyInChI1.03 JLKPIOQFGACSJO-SECBINFHSA-N

Related Resource References

Resource NameReference
PubChem 45490005