1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide

C25H33N5O3 — CID 158434327

IUPAC1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)C[C@@H]3CCCC(C)(C)C3)c12
InChIInChI=1S/C25H33N5O3/c1-14-23-17(6-8-27-14)22(24(26)33)28-29(23)13-21(32)30-18-10-16(18)11-19(30)20(31)9-15-5-4-7-25(2,3)12-15/h6,8,15-16,18-19H,4-5,7,9-13H2,1-3H3,(H2,26,33)/t15-,16+,18+,19-/m0/s1
InChIKeyHCARPIJPKHFKEC-ISARSNTHSA-N
MW451.57 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158434327) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID158434327
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)C[C@@H]3CCCC(C)(C)C3)c12
InChIInChI=1S/C25H33N5O3/c1-14-23-17(6-8-27-14)22(24(26)33)28-29(23)13-21(32)30-18-10-16(18)11-19(30)20(31)9-15-5-4-7-25(2,3)12-15/h6,8,15-16,18-19H,4-5,7,9-13H2,1-3H3,(H2,26,33)/t15-,16+,18+,19-/m0/s1
InChIKeyHCARPIJPKHFKEC-ISARSNTHSA-N
XLogP3.00
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
1-[(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3-(3,3-dimethylcyclohexyl)propan-1-one
CID 158000522
1-[2-[(1R,3S,5R)-3-[(3,3-dimethylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093284
(1R,3R,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[(3,3-dimethylcyclohexyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704351
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-[(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
1-[2-[(1R,3S,5R)-3-[[(3S)-3-ethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093328
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 90020081
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-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131709552
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-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 118073472

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 158434327) is 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide is Cc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)C[C@@H]3CCCC(C)(C)C3)c12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HCARPIJPKHFKEC-ISARSNTHSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-14-23-17(6-8-27-14)22(24(26)33)28-29(23)13-21(32)30-18-10-16(18)11-19(30)20(31)9-15-5-4-7-25(2,3)12-15/h6,8,15-16,18-19H,4-5,7,9-13H2,1-3H3,(H2,26,33)/t15-,16+,18+,19-/m0/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[2-[(1R)-3,3-dimethylcyclohexyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-7-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 158434327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).