5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C22H26ClN5O2 — CID 53340970

IUPAC5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccncc21
InChIInChI=1S/C22H26ClN5O2/c1-3-27-20-12-24-9-8-19(20)28(22(27)30)13-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-12,15,17H,3-7,13H2,1-2H3,(H,26,29)
InChIKeyORXGZRCAMUJXAY-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53340970) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53340970
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccncc21
InChIInChI=1S/C22H26ClN5O2/c1-3-27-20-12-24-9-8-19(20)28(22(27)30)13-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-12,15,17H,3-7,13H2,1-2H3,(H,26,29)
InChIKeyORXGZRCAMUJXAY-UHFFFAOYSA-N
XLogP3.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53340970) is 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is CCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccncc21.
What is the InChIKey of 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ORXGZRCAMUJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-3-27-20-12-24-9-8-19(20)28(22(27)30)13-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-12,15,17H,3-7,13H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53340970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).