(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one

C24H29Cl2N3O — CID 158869224

IUPAC(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one
SMILESCCCCCC[C@@H](C)CC(=O)c1cnc2c(c1)nc(Cc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C24H29Cl2N3O/c1-4-5-6-7-9-16(2)12-22(30)17-13-21-24(27-15-17)29(3)23(28-21)14-18-19(25)10-8-11-20(18)26/h8,10-11,13,15-16H,4-7,9,12,14H2,1-3H3/t16-/m1/s1
InChIKeyJBQAZHWUJWNREH-MRXNPFEDSA-N
MW446.42 g/mol
LogP7.05
Rot. Bonds10

About (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one

(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one (PubChem CID 158869224) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one.

Molecular Properties

Compound Name(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one
PubChem CID158869224
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one
SMILESCCCCCC[C@@H](C)CC(=O)c1cnc2c(c1)nc(Cc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C24H29Cl2N3O/c1-4-5-6-7-9-16(2)12-22(30)17-13-21-24(27-15-17)29(3)23(28-21)14-18-19(25)10-8-11-20(18)26/h8,10-11,13,15-16H,4-7,9,12,14H2,1-3H3/t16-/m1/s1
InChIKeyJBQAZHWUJWNREH-MRXNPFEDSA-N
XLogP7.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methyloctan-1-one
CID 159187628
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
CID 122382821
2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82479909
2-(2-chlorophenyl)-N-ethyl-3-methyl-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 70769765
2-(2-chlorophenyl)-N,3-dimethyl-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 70725218
6-chloro-3-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 84688903
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70735389
(3R)-3-methyl-1-(4-nitrophenyl)nonan-1-one
CID 70960327
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061730
1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
CID 67779214

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one?
The IUPAC name of (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one (CID 158869224) is (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one.
What is the SMILES notation for (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one?
The canonical SMILES for (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one is CCCCCC[C@@H](C)CC(=O)c1cnc2c(c1)nc(Cc1c(Cl)cccc1Cl)n2C.
What is the InChIKey of (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one?
The InChIKey is JBQAZHWUJWNREH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c1-4-5-6-7-9-16(2)12-22(30)17-13-21-24(27-15-17)29(3)23(28-21)14-18-19(25)10-8-11-20(18)26/h8,10-11,13,15-16H,4-7,9,12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one?
(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one has a molecular weight of 446.42 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one is sourced from PubChem (CID 158869224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).