1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid

C24H23ClFN5O4 — CID 140600055

IUPAC1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c(C)n1
InChIInChI=1S/C24H23ClFN5O4/c1-11-6-15-21(24(34)35)29-30(22(15)12(2)28-11)10-19(32)31-17-7-14(17)8-18(31)23(33)27-9-13-4-3-5-16(25)20(13)26/h3-6,14,17-18H,7-10H2,1-2H3,(H,27,33)(H,34,35)/t14-,17-,18+/m1/s1
InChIKeyUGJJSOMTMSLCQF-OLMNPRSZSA-N
MW499.93 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid

1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 140600055) has the molecular formula C24H23ClFN5O4 and a molecular weight of 499.93 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID140600055
Molecular FormulaC24H23ClFN5O4
Molecular Weight499.93 g/mol
Exact Mass499.14
IUPAC Name1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c(C)n1
InChIInChI=1S/C24H23ClFN5O4/c1-11-6-15-21(24(34)35)29-30(22(15)12(2)28-11)10-19(32)31-17-7-14(17)8-18(31)23(33)27-9-13-4-3-5-16(25)20(13)26/h3-6,14,17-18H,7-10H2,1-2H3,(H,27,33)(H,34,35)/t14-,17-,18+/m1/s1
InChIKeyUGJJSOMTMSLCQF-OLMNPRSZSA-N
XLogP2.84
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.93
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid 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-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140696590
(1R,3S)-2-[2-(3-acetyl-5-methylindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163586816
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 71009425
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
3-acetyl-1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 71009647
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide
CID 137117792
2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride
CID 162135141
[3-acetyl-1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indol-6-yl] hydrogen carbonate
CID 130301657
1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217446
[1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridin-3-yl] carbamate
CID 130234556
2-[2-[3-acetyl-6-(cyclopropylmethoxy)indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123904147
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 140600055) is 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid is Cc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c(C)n1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is UGJJSOMTMSLCQF-OLMNPRSZSA-N. The full InChI is InChI=1S/C24H23ClFN5O4/c1-11-6-15-21(24(34)35)29-30(22(15)12(2)28-11)10-19(32)31-17-7-14(17)8-18(31)23(33)27-9-13-4-3-5-16(25)20(13)26/h3-6,14,17-18H,7-10H2,1-2H3,(H,27,33)(H,34,35)/t14-,17-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 499.93 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 140600055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).