5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid

C23H21F3N6O4 — CID 140679254

IUPAC5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(C(F)(F)F)n3)c2cn1
InChIInChI=1S/C23H21F3N6O4/c1-2-12-8-13-16(9-27-12)31(30-20(13)22(35)36)10-19(33)32-14-6-11(14)7-15(32)21(34)29-18-5-3-4-17(28-18)23(24,25)26/h3-5,8-9,11,14-15H,2,6-7,10H2,1H3,(H,35,36)(H,28,29,34)/t11-,14-,15+/m1/s1
InChIKeyJSLPYIAZNRXOND-DFBGVHRSSA-N
MW502.45 g/mol
LogP2.73
Rot. Bonds6

About 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid

5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 140679254) has the molecular formula C23H21F3N6O4 and a molecular weight of 502.45 g/mol. Its IUPAC name is 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID140679254
Molecular FormulaC23H21F3N6O4
Molecular Weight502.45 g/mol
Exact Mass502.16
IUPAC Name5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(C(F)(F)F)n3)c2cn1
InChIInChI=1S/C23H21F3N6O4/c1-2-12-8-13-16(9-27-12)31(30-20(13)22(35)36)10-19(33)32-14-6-11(14)7-15(32)21(34)29-18-5-3-4-17(28-18)23(24,25)26/h3-5,8-9,11,14-15H,2,6-7,10H2,1H3,(H,35,36)(H,28,29,34)/t11-,14-,15+/m1/s1
InChIKeyJSLPYIAZNRXOND-DFBGVHRSSA-N
XLogP2.73
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-[7-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 25024122
5,7-dimethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72720769
5-[2-(propan-2-ylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
CID 62705687
5-[2-(cyclopropylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
CID 62705688
1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009307
1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)pyridin-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide
CID 71009426
1-[2-oxo-2-[(1R,3S,5R)-3-[(6-propan-2-yl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009501
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118796768
US11053253, Cmp No. T-156
CID 153306610
US11053253, Cmp No. T-225
CID 153306732
US11053253, Cmp No. T-224
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1-methyl-4-[4-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylic acid
CID 86279238

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 140679254) is 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid is CCc1cc2c(C(=O)O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(C(F)(F)F)n3)c2cn1.
What is the InChIKey of 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is JSLPYIAZNRXOND-DFBGVHRSSA-N. The full InChI is InChI=1S/C23H21F3N6O4/c1-2-12-8-13-16(9-27-12)31(30-20(13)22(35)36)10-19(33)32-14-6-11(14)7-15(32)21(34)29-18-5-3-4-17(28-18)23(24,25)26/h3-5,8-9,11,14-15H,2,6-7,10H2,1H3,(H,35,36)(H,28,29,34)/t11-,14-,15+/m1/s1.
What are the key properties of 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 502.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 140679254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).