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

C24H30N4O4 — CID 146915374

IUPAC1-[(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CCOC(C)(C)C2)c2cnccc12
InChIInChI=1S/C24H30N4O4/c1-14(29)23-17-4-6-25-12-20(17)27(26-23)13-22(31)28-18-9-16(18)10-19(28)21(30)8-15-5-7-32-24(2,3)11-15/h4,6,12,15-16,18-19H,5,7-11,13H2,1-3H3/t15?,16-,18-,19+/m1/s1
InChIKeyACCYOIOGEKYZDR-MHGPCZNRSA-N
MW438.53 g/mol
LogP2.79
Rot. Bonds6

About 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

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 (PubChem CID 146915374) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID146915374
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CCOC(C)(C)C2)c2cnccc12
InChIInChI=1S/C24H30N4O4/c1-14(29)23-17-4-6-25-12-20(17)27(26-23)13-22(31)28-18-9-16(18)10-19(28)21(30)8-15-5-7-32-24(2,3)11-15/h4,6,12,15-16,18-19H,5,7-11,13H2,1-3H3/t15?,16-,18-,19+/m1/s1
InChIKeyACCYOIOGEKYZDR-MHGPCZNRSA-N
XLogP2.79
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
(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
(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
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-[(1R,3S,5R)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118323690
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720548
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(3-chloro-2-fluorophenyl)methanamine
CID 71009614
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-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 123662683
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CCOC(C)(C)C2)c2cnccc12.
What is the InChIKey of 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?
The InChIKey is ACCYOIOGEKYZDR-MHGPCZNRSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14(29)23-17-4-6-25-12-20(17)27(26-23)13-22(31)28-18-9-16(18)10-19(28)21(30)8-15-5-7-32-24(2,3)11-15/h4,6,12,15-16,18-19H,5,7-11,13H2,1-3H3/t15?,16-,18-,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 438.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146915374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).