1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone

C24H27Cl2N3O — CID 147655462

IUPAC1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(CC(=O)c2cnc3c(c2)nc(Cc2c(Cl)cccc2Cl)n3C)CC1
InChIInChI=1S/C24H27Cl2N3O/c1-3-15-7-9-16(10-8-15)11-22(30)17-12-21-24(27-14-17)29(2)23(28-21)13-18-19(25)5-4-6-20(18)26/h4-6,12,14-16H,3,7-11,13H2,1-2H3
InChIKeyGKHXZKGQLRFGGQ-UHFFFAOYSA-N
MW444.41 g/mol
LogP6.66
Rot. Bonds6

About 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone

1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone (PubChem CID 147655462) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone
PubChem CID147655462
Molecular FormulaC24H27Cl2N3O
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(CC(=O)c2cnc3c(c2)nc(Cc2c(Cl)cccc2Cl)n3C)CC1
InChIInChI=1S/C24H27Cl2N3O/c1-3-15-7-9-16(10-8-15)11-22(30)17-12-21-24(27-14-17)29(2)23(28-21)13-18-19(25)5-4-6-20(18)26/h4-6,12,14-16H,3,7-11,13H2,1-2H3
InChIKeyGKHXZKGQLRFGGQ-UHFFFAOYSA-N
XLogP6.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone (CID 147655462) is 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone is CCC1CCC(CC(=O)c2cnc3c(c2)nc(Cc2c(Cl)cccc2Cl)n3C)CC1.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone?
The InChIKey is GKHXZKGQLRFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O/c1-3-15-7-9-16(10-8-15)11-22(30)17-12-21-24(27-14-17)29(2)23(28-21)13-18-19(25)5-4-6-20(18)26/h4-6,12,14-16H,3,7-11,13H2,1-2H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone?
1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone has a molecular weight of 444.41 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-2-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 147655462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).