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

C19H24N4O — CID 145420127

IUPAC3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(CCCOc1ccccc1)n2CCCN
InChIInChI=1S/C19H24N4O/c1-15-13-17-19(21-14-15)23(11-6-10-20)18(22-17)9-5-12-24-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12,20H2,1H3
InChIKeyDGNFSCYGAYBZAR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.10
Rot. Bonds8

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

3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine (PubChem CID 145420127) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
PubChem CID145420127
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(CCCOc1ccccc1)n2CCCN
InChIInChI=1S/C19H24N4O/c1-15-13-17-19(21-14-15)23(11-6-10-20)18(22-17)9-5-12-24-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12,20H2,1H3
InChIKeyDGNFSCYGAYBZAR-UHFFFAOYSA-N
XLogP3.10
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745988
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
CID 82151301
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209647
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
CID 93209739
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
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine (CID 145420127) is 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine is Cc1cnc2c(c1)nc(CCCOc1ccccc1)n2CCCN.
What is the InChIKey of 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The InChIKey is DGNFSCYGAYBZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-13-17-19(21-14-15)23(11-6-10-20)18(22-17)9-5-12-24-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12,20H2,1H3.
What are the key properties of 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine has a molecular weight of 324.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 145420127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).