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-carboxamide

C23H27F3N6O3 — CID 72721679

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-carboxamide
SMILESCc1cc2c(C(N)=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/C23H27F3N6O3/c1-11-5-15-18(9-28-11)31(30-20(15)21(27)34)10-19(33)32-16-6-12(16)7-17(32)22(35)29-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H2,27,34)(H,29,35)/t12-,13+,14-,16-,17+/m1/s1
InChIKeyFIOMOINUHWYLEX-QZCUMHFISA-N
MW492.50 g/mol
LogP2.07
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-carboxamide

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-carboxamide (PubChem CID 72721679) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 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-carboxamide.

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-carboxamide
PubChem CID72721679
Molecular FormulaC23H27F3N6O3
Molecular Weight492.50 g/mol
Exact Mass492.21
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-carboxamide
SMILESCc1cc2c(C(N)=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/C23H27F3N6O3/c1-11-5-15-18(9-28-11)31(30-20(15)21(27)34)10-19(33)32-16-6-12(16)7-17(32)22(35)29-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H2,27,34)(H,29,35)/t12-,13+,14-,16-,17+/m1/s1
InChIKeyFIOMOINUHWYLEX-QZCUMHFISA-N
XLogP2.07
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 52.07
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-carboxamide with MolForge

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Related Compounds

Factor D inhibitor 6
CID 68283608
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 165129719
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366

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-carboxamide?
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-carboxamide (CID 72721679) 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-carboxamide.
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-carboxamide?
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-carboxamide is Cc1cc2c(C(N)=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-carboxamide?
The InChIKey is FIOMOINUHWYLEX-QZCUMHFISA-N. The full InChI is InChI=1S/C23H27F3N6O3/c1-11-5-15-18(9-28-11)31(30-20(15)21(27)34)10-19(33)32-16-6-12(16)7-17(32)22(35)29-14-4-2-3-13(8-14)23(24,25)26/h5,9,12-14,16-17H,2-4,6-8,10H2,1H3,(H2,27,34)(H,29,35)/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-carboxamide?
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-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 2.07, 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-carboxamide is sourced from PubChem (CID 72721679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).