3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C26H23F3N4O3S — CID 126556059

IUPAC3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1
InChIInChI=1S/C26H23F3N4O3S/c1-37(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/h2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34)
InChIKeyOLAIHGARTVTVNO-UHFFFAOYSA-N
MW528.56 g/mol
LogP4.71
Rot. Bonds7

About 3-cyclopropyl-N-[(4-methylsulfonylphenyl)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 126556059) has the molecular formula C26H23F3N4O3S and a molecular weight of 528.56 g/mol. Its IUPAC name is 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-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID126556059
Molecular FormulaC26H23F3N4O3S
Molecular Weight528.56 g/mol
Exact Mass528.14
IUPAC Name3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(Cc2ccc(C(F)(F)F)cc2)n3C2CC2)cc1
InChIInChI=1S/C26H23F3N4O3S/c1-37(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/h2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34)
InChIKeyOLAIHGARTVTVNO-UHFFFAOYSA-N
XLogP4.71
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 54.71
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-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 126556059) is 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-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is 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-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OLAIHGARTVTVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3S/c1-37(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/h2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34).
What are the key properties of 3-cyclopropyl-N-[(4-methylsulfonylphenyl)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 528.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 126556059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).