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

C23H26F3N5O4 — CID 140674869

IUPAC5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[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)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2cn1
InChIInChI=1S/C23H26F3N5O4/c1-11-5-15-18(9-27-11)30(29-20(15)22(34)35)10-19(32)31-16-6-12(16)7-17(31)21(33)28-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H,28,33)(H,34,35)/t12-,13+,14-,16-,17+/m1/s1
InChIKeyBMFMIOUXJFJGRH-QZCUMHFISA-N
MW493.49 g/mol
LogP2.66
Rot. Bonds5

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

5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 140674869) has the molecular formula C23H26F3N5O4 and a molecular weight of 493.49 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID140674869
Molecular FormulaC23H26F3N5O4
Molecular Weight493.49 g/mol
Exact Mass493.19
IUPAC Name5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[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)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2cn1
InChIInChI=1S/C23H26F3N5O4/c1-11-5-15-18(9-27-11)30(29-20(15)22(34)35)10-19(32)31-16-6-12(16)7-17(31)21(33)28-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H,28,33)(H,34,35)/t12-,13+,14-,16-,17+/m1/s1
InChIKeyBMFMIOUXJFJGRH-QZCUMHFISA-N
XLogP2.66
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]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-[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,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 90020184
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
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,3S,5R)-3-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 72709817
(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-[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-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 118073417
(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721573
1-[2-[(1R,3S,5R)-3-[[(1R,3S)-3-methoxycyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721574
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 118093304
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 140674869) is 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]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-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[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)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2cn1.
What is the InChIKey of 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is BMFMIOUXJFJGRH-QZCUMHFISA-N. The full InChI is InChI=1S/C23H26F3N5O4/c1-11-5-15-18(9-27-11)30(29-20(15)22(34)35)10-19(32)31-16-6-12(16)7-17(31)21(33)28-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H,28,33)(H,34,35)/t12-,13+,14-,16-,17+/m1/s1.
What are the key properties of 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid?
5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 493.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 140674869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).