3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide

C22H24N6O3 — CID 176504449

IUPAC3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc2c(cc1NC(=O)c1cnc3c(c1)ncn3C1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C22H24N6O3/c1-13-8-18-19(27(3)22(30)26(18)2)10-16(13)25-21(29)14-9-17-20(23-11-14)28(12-24-17)15-4-6-31-7-5-15/h8-12,15H,4-7H2,1-3H3,(H,25,29)
InChIKeyQVDJCZNZZGPAME-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.53
Rot. Bonds3

About 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide

3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504449) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504449
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc2c(cc1NC(=O)c1cnc3c(c1)ncn3C1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C22H24N6O3/c1-13-8-18-19(27(3)22(30)26(18)2)10-16(13)25-21(29)14-9-17-20(23-11-14)28(12-24-17)15-4-6-31-7-5-15/h8-12,15H,4-7H2,1-3H3,(H,25,29)
InChIKeyQVDJCZNZZGPAME-UHFFFAOYSA-N
XLogP2.53
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175643763
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501565
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054
3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501437
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
3-cyclopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506052
[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504449) is 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1cc2c(cc1NC(=O)c1cnc3c(c1)ncn3C1CCOCC1)n(C)c(=O)n2C.
What is the InChIKey of 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QVDJCZNZZGPAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-8-18-19(27(3)22(30)26(18)2)10-16(13)25-21(29)14-9-17-20(23-11-14)28(12-24-17)15-4-6-31-7-5-15/h8-12,15H,4-7H2,1-3H3,(H,25,29).
What are the key properties of 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide?
3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).