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

C17H20N4O — CID 82143855

IUPAC2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCOc1cccc(-c2nc3cc(C)cnc3n2C(C)CN)c1
InChIInChI=1S/C17H20N4O/c1-11-7-15-17(19-10-11)21(12(2)9-18)16(20-15)13-5-4-6-14(8-13)22-3/h4-8,10,12H,9,18H2,1-3H3
InChIKeyKWBMNCHCAKWOPZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.94
Rot. Bonds4

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

2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (PubChem CID 82143855) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
PubChem CID82143855
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCOc1cccc(-c2nc3cc(C)cnc3n2C(C)CN)c1
InChIInChI=1S/C17H20N4O/c1-11-7-15-17(19-10-11)21(12(2)9-18)16(20-15)13-5-4-6-14(8-13)22-3/h4-8,10,12H,9,18H2,1-3H3
InChIKeyKWBMNCHCAKWOPZ-UHFFFAOYSA-N
XLogP2.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143864
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
4-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 94757379
2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
CID 82067936
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79279800
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The IUPAC name of 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (CID 82143855) is 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is COc1cccc(-c2nc3cc(C)cnc3n2C(C)CN)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The InChIKey is KWBMNCHCAKWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-7-15-17(19-10-11)21(12(2)9-18)16(20-15)13-5-4-6-14(8-13)22-3/h4-8,10,12H,9,18H2,1-3H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 82143855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).