5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C25H27ClN6O2 — CID 146172620

IUPAC5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3cnn(C)c3)c3ccccc32)CC1
InChIInChI=1S/C25H27ClN6O2/c1-16-21(11-18(26)12-27-16)24(33)29-19-9-7-17(8-10-19)14-31-22-5-3-4-6-23(22)32(25(31)34)20-13-28-30(2)15-20/h3-6,11-13,15,17,19H,7-10,14H2,1-2H3,(H,29,33)
InChIKeyFUAYGNASJPDZPJ-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.87
Rot. Bonds5

About 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172620) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID146172620
Molecular FormulaC25H27ClN6O2
Molecular Weight478.98 g/mol
Exact Mass478.19
IUPAC Name5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3cnn(C)c3)c3ccccc32)CC1
InChIInChI=1S/C25H27ClN6O2/c1-16-21(11-18(26)12-27-16)24(33)29-19-9-7-17(8-10-19)14-31-22-5-3-4-6-23(22)32(25(31)34)20-13-28-30(2)15-20/h3-6,11-13,15,17,19H,7-10,14H2,1-2H3,(H,29,33)
InChIKeyFUAYGNASJPDZPJ-UHFFFAOYSA-N
XLogP3.87
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146181074
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-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172883
5-chloro-2-methyl-N-[4-[[3-(2-methyl-1,3-benzothiazol-5-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172622
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-[[3-[4-(1,3-oxazol-4-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172492
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-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355
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-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172874
5-chloro-2-methyl-N-[4-[[3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146173083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172620) is 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3cnn(C)c3)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is FUAYGNASJPDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-16-21(11-18(26)12-27-16)24(33)29-19-9-7-17(8-10-19)14-31-22-5-3-4-6-23(22)32(25(31)34)20-13-28-30(2)15-20/h3-6,11-13,15,17,19H,7-10,14H2,1-2H3,(H,29,33).
What are the key properties of 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).