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

C24H32N6O3 — CID 118093284

IUPAC1-[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
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC3CCCC(C)(C)C3)c2cn1
InChIInChI=1S/C24H32N6O3/c1-13-7-16-19(11-26-13)29(28-21(16)22(25)32)12-20(31)30-17-8-14(17)9-18(30)23(33)27-15-5-4-6-24(2,3)10-15/h7,11,14-15,17-18H,4-6,8-10,12H2,1-3H3,(H2,25,32)(H,27,33)/t14-,15?,17-,18+/m1/s1
InChIKeyBCKBXPPSUMEXOO-DUZACMNTSA-N
MW452.56 g/mol
LogP1.91
Rot. Bonds5

About 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

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 (PubChem CID 118093284) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID118093284
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name1-[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
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC3CCCC(C)(C)C3)c2cn1
InChIInChI=1S/C24H32N6O3/c1-13-7-16-19(11-26-13)29(28-21(16)22(25)32)12-20(31)30-17-8-14(17)9-18(30)23(33)27-15-5-4-6-24(2,3)10-15/h7,11,14-15,17-18H,4-6,8-10,12H2,1-3H3,(H2,25,32)(H,27,33)/t14-,15?,17-,18+/m1/s1
InChIKeyBCKBXPPSUMEXOO-DUZACMNTSA-N
XLogP1.91
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
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)-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
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
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1R)-3,3-dimethylcyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720977
6-chloro-1-[2-[(1S,3S,5S)-3-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-6-methylidene-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163463168
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131709552
1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093303
1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90019408
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-[[(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-[(2S,4R)-2-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC3CCCC(C)(C)C3)c2cn1.
What is the InChIKey of 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?
The InChIKey is BCKBXPPSUMEXOO-DUZACMNTSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-13-7-16-19(11-26-13)29(28-21(16)22(25)32)12-20(31)30-17-8-14(17)9-18(30)23(33)27-15-5-4-6-24(2,3)10-15/h7,11,14-15,17-18H,4-6,8-10,12H2,1-3H3,(H2,25,32)(H,27,33)/t14-,15?,17-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 452.56 g/mol, XLogP of 1.91, 5 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-[(3,3-dimethylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118093284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).