N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C19H22N6O2 — CID 58124712

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O
InChIInChI=1S/C19H22N6O2/c1-12(2)10-15(17(20)26)23-19(27)16-14-7-5-9-22-18(14)25(24-16)11-13-6-3-4-8-21-13/h3-9,12,15H,10-11H2,1-2H3,(H2,20,26)(H,23,27)/t15-/m0/s1
InChIKeyFGPJKBOLQBJARD-HNNXBMFYSA-N
MW366.43 g/mol
LogP1.50
Rot. Bonds7

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 58124712) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID58124712
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O
InChIInChI=1S/C19H22N6O2/c1-12(2)10-15(17(20)26)23-19(27)16-14-7-5-9-22-18(14)25(24-16)11-13-6-3-4-8-21-13/h3-9,12,15H,10-11H2,1-2H3,(H2,20,26)(H,23,27)/t15-/m0/s1
InChIKeyFGPJKBOLQBJARD-HNNXBMFYSA-N
XLogP1.50
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124727
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide
CID 143855936
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124600
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 74951471
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 4642395
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
ethyl 5-propan-2-yl-1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 103105342
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859399
N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 123524646

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 58124712) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is CC(C)C[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is FGPJKBOLQBJARD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)10-15(17(20)26)23-19(27)16-14-7-5-9-22-18(14)25(24-16)11-13-6-3-4-8-21-13/h3-9,12,15H,10-11H2,1-2H3,(H2,20,26)(H,23,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58124712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).