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

C18H22N4O — CID 93209647

IUPAC3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCOc1ccc(Cc2nc3cc(C)cnc3n2CCCN)cc1
InChIInChI=1S/C18H22N4O/c1-13-10-16-18(20-12-13)22(9-3-8-19)17(21-16)11-14-4-6-15(23-2)7-5-14/h4-7,10,12H,3,8-9,11,19H2,1-2H3
InChIKeyMVSBPGHCSWDSEI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.69
Rot. Bonds6

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

3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (PubChem CID 93209647) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
PubChem CID93209647
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCOc1ccc(Cc2nc3cc(C)cnc3n2CCCN)cc1
InChIInChI=1S/C18H22N4O/c1-13-10-16-18(20-12-13)22(9-3-8-19)17(21-16)11-14-4-6-15(23-2)7-5-14/h4-7,10,12H,3,8-9,11,19H2,1-2H3
InChIKeyMVSBPGHCSWDSEI-UHFFFAOYSA-N
XLogP2.69
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
3-[2-(4-methoxyphenyl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79279800
4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758757
3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143536
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061574
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
2-[6-methyl-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150790
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
CID 93209739

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine (CID 93209647) is 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is COc1ccc(Cc2nc3cc(C)cnc3n2CCCN)cc1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The InChIKey is MVSBPGHCSWDSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-10-16-18(20-12-13)22(9-3-8-19)17(21-16)11-14-4-6-15(23-2)7-5-14/h4-7,10,12H,3,8-9,11,19H2,1-2H3.
What are the key properties of 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine?
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 93209647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).