2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine

C16H17ClN4 — CID 82143864

IUPAC2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(-c1cccc(Cl)c1)n2C(C)CN
InChIInChI=1S/C16H17ClN4/c1-10-6-14-16(19-9-10)21(11(2)8-18)15(20-14)12-4-3-5-13(17)7-12/h3-7,9,11H,8,18H2,1-2H3
InChIKeyFZHMZKICJBGGLH-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.58
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine

2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (PubChem CID 82143864) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
PubChem CID82143864
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(-c1cccc(Cl)c1)n2C(C)CN
InChIInChI=1S/C16H17ClN4/c1-10-6-14-16(19-9-10)21(11(2)8-18)15(20-14)12-4-3-5-13(17)7-12/h3-7,9,11H,8,18H2,1-2H3
InChIKeyFZHMZKICJBGGLH-UHFFFAOYSA-N
XLogP3.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143855
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82143881
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (CID 82143864) is 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is Cc1cnc2c(c1)nc(-c1cccc(Cl)c1)n2C(C)CN.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The InChIKey is FZHMZKICJBGGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10-6-14-16(19-9-10)21(11(2)8-18)15(20-14)12-4-3-5-13(17)7-12/h3-7,9,11H,8,18H2,1-2H3.
What are the key properties of 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine has a molecular weight of 300.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 82143864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).