5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C22H26ClN5O2 — CID 53340971

IUPAC5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3nccc(C)c32)CC1
InChIInChI=1S/C22H26ClN5O2/c1-13-8-9-24-20-19(13)28(22(30)27(20)3)12-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-11,15,17H,4-7,12H2,1-3H3,(H,26,29)
InChIKeyOLCBQTWHSHHTFA-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.39
Rot. Bonds4

About 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53340971) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53340971
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3nccc(C)c32)CC1
InChIInChI=1S/C22H26ClN5O2/c1-13-8-9-24-20-19(13)28(22(30)27(20)3)12-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-11,15,17H,4-7,12H2,1-3H3,(H,26,29)
InChIKeyOLCBQTWHSHHTFA-UHFFFAOYSA-N
XLogP3.39
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53340971) is 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3nccc(C)c32)CC1.
What is the InChIKey of 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is OLCBQTWHSHHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-13-8-9-24-20-19(13)28(22(30)27(20)3)12-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-11,15,17H,4-7,12H2,1-3H3,(H,26,29).
What are the key properties of 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53340971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).