3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C27H34N4O3S — CID 135298240

IUPAC3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1
InChIInChI=1S/C27H34N4O3S/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32)
InChIKeyIVDAWAKZNOGFFX-UHFFFAOYSA-N
MW494.66 g/mol
LogP4.86
Rot. Bonds8

About 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 135298240) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID135298240
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1
InChIInChI=1S/C27H34N4O3S/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32)
InChIKeyIVDAWAKZNOGFFX-UHFFFAOYSA-N
XLogP4.86
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 135298240) is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IVDAWAKZNOGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32).
What are the key properties of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 135298240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).