3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine

C12H18N4O — CID 79288958

IUPAC3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOCCCCn1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H18N4O/c1-9-5-6-14-11-10(9)15-12(13)16(11)7-3-4-8-17-2/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyKNMLHQBDQAQDPA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds5

About 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine

3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79288958) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79288958
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOCCCCn1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H18N4O/c1-9-5-6-14-11-10(9)15-12(13)16(11)7-3-4-8-17-2/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15)
InChIKeyKNMLHQBDQAQDPA-UHFFFAOYSA-N
XLogP1.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106261885
7-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79288299
3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-N-methylpropanamide
CID 79288464
3-(2-cyclopentylethyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288809
3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288101
7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114125339
3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106036057
7-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 80692279
7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79293994
3-(1-methoxy-2-methylpropan-2-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 113470595
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288588

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79288958) is 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine is COCCCCn1c(N)nc2c(C)ccnc21.
What is the InChIKey of 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is KNMLHQBDQAQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-5-6-14-11-10(9)15-12(13)16(11)7-3-4-8-17-2/h5-6H,3-4,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).