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

C24H32N6O3 — CID 118093328

IUPAC1-[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
SMILESCC[C@H]1CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3cc(C)ncc32)C1
InChIInChI=1S/C24H32N6O3/c1-3-14-5-4-6-16(8-14)27-24(33)19-10-15-9-18(15)30(19)21(31)12-29-20-11-26-13(2)7-17(20)22(28-29)23(25)32/h7,11,14-16,18-19H,3-6,8-10,12H2,1-2H3,(H2,25,32)(H,27,33)/t14-,15+,16?,18+,19-/m0/s1
InChIKeyRKGHJYCYTMBGFZ-UDAYMSPSSA-N
MW452.56 g/mol
LogP1.91
Rot. Bonds6

About 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

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 (PubChem CID 118093328) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID118093328
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name1-[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
SMILESCC[C@H]1CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3cc(C)ncc32)C1
InChIInChI=1S/C24H32N6O3/c1-3-14-5-4-6-16(8-14)27-24(33)19-10-15-9-18(15)30(19)21(31)12-29-20-11-26-13(2)7-17(20)22(28-29)23(25)32/h7,11,14-16,18-19H,3-6,8-10,12H2,1-2H3,(H2,25,32)(H,27,33)/t14-,15+,16?,18+,19-/m0/s1
InChIKeyRKGHJYCYTMBGFZ-UDAYMSPSSA-N
XLogP1.91
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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-[[(3S)-3-ethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H]1CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3cc(C)ncc32)C1.
What is the InChIKey of 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?
The InChIKey is RKGHJYCYTMBGFZ-UDAYMSPSSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-3-14-5-4-6-16(8-14)27-24(33)19-10-15-9-18(15)30(19)21(31)12-29-20-11-26-13(2)7-17(20)22(28-29)23(25)32/h7,11,14-16,18-19H,3-6,8-10,12H2,1-2H3,(H2,25,32)(H,27,33)/t14-,15+,16?,18+,19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 452.56 g/mol, XLogP of 1.91, 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-[[(3S)-3-ethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118093328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).