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

C53H48F6N8O6S2 — CID 160504679

IUPAC3-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
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1
InChIInChI=1S/C27H25F3N4O3S.C26H23F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30;1-37(35,36)21-10-4-17(5-11-21)14-31-25(34)18-13-22-24(30-15-18)33(20-8-9-20)23(32-22)12-16-2-6-19(7-3-16)26(27,28)29/h3-8,11-12,14,16,21H,2,9-10,13,15H2,1H3,(H,32,35);2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34)
InChIKeyQSFXJPGEOAXRMV-UHFFFAOYSA-N
MW1071.14 g/mol
LogP9.81
Rot. Bonds15

About 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

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 (PubChem CID 160504679) has the molecular formula C53H48F6N8O6S2 and a molecular weight of 1071.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160504679
Molecular FormulaC53H48F6N8O6S2
Molecular Weight1071.14 g/mol
Exact Mass1070.30
IUPAC Name3-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
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1
InChIInChI=1S/C27H25F3N4O3S.C26H23F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30;1-37(35,36)21-10-4-17(5-11-21)14-31-25(34)18-13-22-24(30-15-18)33(20-8-9-20)23(32-22)12-16-2-6-19(7-3-16)26(27,28)29/h3-8,11-12,14,16,21H,2,9-10,13,15H2,1H3,(H,32,35);2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34)
InChIKeyQSFXJPGEOAXRMV-UHFFFAOYSA-N
XLogP9.81
TPSA187.90 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.14
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
US10696692, Example 210
CID 89795500
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126521906
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556058
3-cyclopropyl-N-(4-(methylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 126556059
N-(4-(ethylsulfonyl)benzyl)-1-(2-methylallyl)-2-(4-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 126558079
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135288733
4-methylbenzenesulfonic acid;N-[[2-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-3-carboxamide
CID 16064500
N-[[4-[2-(2-amino-3-pyridinyl)-5-(4-methylsulfinylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344946
12-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]-2,5,8,12,15-pentazatetracyclo[11.2.2.03,11.04,8]heptadeca-1(15),3(11),4,6,9,13,16-heptaene-10-carboxamide
CID 68277328
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208138
N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208580

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1.CS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1.
What is the InChIKey of 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?
The InChIKey is QSFXJPGEOAXRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3S.C26H23F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30;1-37(35,36)21-10-4-17(5-11-21)14-31-25(34)18-13-22-24(30-15-18)33(20-8-9-20)23(32-22)12-16-2-6-19(7-3-16)26(27,28)29/h3-8,11-12,14,16,21H,2,9-10,13,15H2,1H3,(H,32,35);2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 1071.14 g/mol, XLogP of 9.81, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160504679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).