5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C29H27ClF3N7O2 — CID 167056264

IUPAC5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1=CCNc2ncc(-n3c(=O)n(CC4CCC(NC(=O)c5cc(Cl)cnc5C(F)(F)F)CC4)c4cccnc43)cc21
InChIInChI=1S/C29H27ClF3N7O2/c1-16-8-10-34-25-21(16)12-20(14-37-25)40-26-23(3-2-9-35-26)39(28(40)42)15-17-4-6-19(7-5-17)38-27(41)22-11-18(30)13-36-24(22)29(31,32)33/h2-3,8-9,11-14,17,19H,4-7,10,15H2,1H3,(H,34,37)(H,38,41)
InChIKeyDSHRSYCFFPYLEH-UHFFFAOYSA-N
MW598.03 g/mol
LogP5.47
Rot. Bonds5

About 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide

5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167056264) has the molecular formula C29H27ClF3N7O2 and a molecular weight of 598.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167056264
Molecular FormulaC29H27ClF3N7O2
Molecular Weight598.03 g/mol
Exact Mass597.19
IUPAC Name5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1=CCNc2ncc(-n3c(=O)n(CC4CCC(NC(=O)c5cc(Cl)cnc5C(F)(F)F)CC4)c4cccnc43)cc21
InChIInChI=1S/C29H27ClF3N7O2/c1-16-8-10-34-25-21(16)12-20(14-37-25)40-26-23(3-2-9-35-26)39(28(40)42)15-17-4-6-19(7-5-17)38-27(41)22-11-18(30)13-36-24(22)29(31,32)33/h2-3,8-9,11-14,17,19H,4-7,10,15H2,1H3,(H,34,37)(H,38,41)
InChIKeyDSHRSYCFFPYLEH-UHFFFAOYSA-N
XLogP5.47
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.03
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)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

Related Compounds

5-chloro-2-(difluoromethyl)-N-[4-[[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172870
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172444
5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172782
5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146181074
5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172883
5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172620
5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 161167389
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172901
5-chloro-N-[4-[[3-(4-imidazol-1-ylphenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172751
5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 175073711
5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355
5-chloro-2-methyl-N-[4-[[3-[4-(1,3-oxazol-4-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 167056264) is 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide is CC1=CCNc2ncc(-n3c(=O)n(CC4CCC(NC(=O)c5cc(Cl)cnc5C(F)(F)F)CC4)c4cccnc43)cc21.
What is the InChIKey of 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DSHRSYCFFPYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N7O2/c1-16-8-10-34-25-21(16)12-20(14-37-25)40-26-23(3-2-9-35-26)39(28(40)42)15-17-4-6-19(7-5-17)38-27(41)22-11-18(30)13-36-24(22)29(31,32)33/h2-3,8-9,11-14,17,19H,4-7,10,15H2,1H3,(H,34,37)(H,38,41).
What are the key properties of 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 598.03 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(5-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167056264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).