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

C54H70N8O7S2 — CID 158161441

IUPAC3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine
SMILESCC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1
InChIInChI=1S/C27H34N4O3S.C18H23N3O2.C9H13NO2S/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;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-2-13(11,12)9-5-3-8(7-10)4-6-9/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);9-12,14H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3
InChIKeyFWHZAIKNVCPOJN-UHFFFAOYSA-N
MW1007.34 g/mol
LogP9.63
Rot. Bonds15

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

3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine (PubChem CID 158161441) has the molecular formula C54H70N8O7S2 and a molecular weight of 1007.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine
PubChem CID158161441
Molecular FormulaC54H70N8O7S2
Molecular Weight1007.34 g/mol
Exact Mass1006.48
IUPAC Name3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine
SMILESCC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1
InChIInChI=1S/C27H34N4O3S.C18H23N3O2.C9H13NO2S/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;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-2-13(11,12)9-5-3-8(7-10)4-6-9/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);9-12,14H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3
InChIKeyFWHZAIKNVCPOJN-UHFFFAOYSA-N
XLogP9.63
TPSA222.12 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.34
LogP ≤ 59.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine with MolForge

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Related Compounds

3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 160504679
3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 161265638
3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 135298240
potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate
CID 157099299
ethane;4-imidazo[1,2-a]pyridin-2-ylaniline;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;2-methyl-4-methylsulfonylbenzoic acid
CID 159465039
4-[(cyclopentylamino)methyl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-(methylaminomethyl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;molecular hydrogen;3-[[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]carbamoyl]benzoic acid
CID 159756433
sodium;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
CID 160767199
3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 167568551

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;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine?
The IUPAC name of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine (CID 158161441) is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine is CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.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;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine?
The InChIKey is FWHZAIKNVCPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S.C18H23N3O2.C9H13NO2S/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;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-2-13(11,12)9-5-3-8(7-10)4-6-9/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);9-12,14H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3.
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-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine?
3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine has a molecular weight of 1007.34 g/mol, XLogP of 9.63, 15 rotatable bonds, 3 hydrogen bond donors, and 13 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;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine is sourced from PubChem (CID 158161441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).