1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C16H18N6O3 — CID 123662683

IUPAC1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C(C(N)=O)CC3CCC32)c2cnccc12
InChIInChI=1S/C16H18N6O3/c17-15(24)11-5-8-1-2-10(8)22(11)13(23)7-21-12-6-19-4-3-9(12)14(20-21)16(18)25/h3-4,6,8,10-11H,1-2,5,7H2,(H2,17,24)(H2,18,25)
InChIKeyLFLPPMHBZOZXKU-UHFFFAOYSA-N
MW342.36 g/mol
LogP-0.61
Rot. Bonds4

About 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 123662683) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID123662683
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C(C(N)=O)CC3CCC32)c2cnccc12
InChIInChI=1S/C16H18N6O3/c17-15(24)11-5-8-1-2-10(8)22(11)13(23)7-21-12-6-19-4-3-9(12)14(20-21)16(18)25/h3-4,6,8,10-11H,1-2,5,7H2,(H2,17,24)(H2,18,25)
InChIKeyLFLPPMHBZOZXKU-UHFFFAOYSA-N
XLogP-0.61
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(1R,3S,5R)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118323690
1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 158379504
1-[2-oxo-2-[(1R,3S,5R)-3-(2-trimethylsilylethylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72703238
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943834
1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 90019514
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943832
1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72950835
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1S,3S)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 118073438
1-[2-[(1R,2S,5S)-2-[[(1S)-2,2-dichlorocyclopropyl]methylcarbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72709081
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(4,4-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721170
1-[(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2,2-dimethyloxan-4-yl)ethanone
CID 146915374
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(1-cyclohexylcyclopropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 123662683) is 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2C(C(N)=O)CC3CCC32)c2cnccc12.
What is the InChIKey of 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LFLPPMHBZOZXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c17-15(24)11-5-8-1-2-10(8)22(11)13(23)7-21-12-6-19-4-3-9(12)14(20-21)16(18)25/h3-4,6,8,10-11H,1-2,5,7H2,(H2,17,24)(H2,18,25).
What are the key properties of 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 123662683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).