4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C21H22N6O2 — CID 135335997

IUPAC4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCOc1cccc(OCCn2c(C)nc3ccc(-c4cc(N)nc(N)c4)nc32)c1
InChIInChI=1S/C21H22N6O2/c1-13-24-18-7-6-17(14-10-19(22)26-20(23)11-14)25-21(18)27(13)8-9-29-16-5-3-4-15(12-16)28-2/h3-7,10-12H,8-9H2,1-2H3,(H4,22,23,26)
InChIKeyGUOPDYYTSQNOJV-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.05
Rot. Bonds6

About 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335997) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335997
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCOc1cccc(OCCn2c(C)nc3ccc(-c4cc(N)nc(N)c4)nc32)c1
InChIInChI=1S/C21H22N6O2/c1-13-24-18-7-6-17(14-10-19(22)26-20(23)11-14)25-21(18)27(13)8-9-29-16-5-3-4-15(12-16)28-2/h3-7,10-12H,8-9H2,1-2H3,(H4,22,23,26)
InChIKeyGUOPDYYTSQNOJV-UHFFFAOYSA-N
XLogP3.05
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine 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

4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335953
4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335804
4-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135283877
4-[3-[(4-chloro-2-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335843
4-[2-methyl-3-[(2R)-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335906
4-[[5-(2,6-diamino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]benzonitrile
CID 135335878
4-[3-[(2S)-2-[(5-bromo-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336104
6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335944
4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335837
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)ethyl]quinazolin-4-one
CID 15991202

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335997) is 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is COc1cccc(OCCn2c(C)nc3ccc(-c4cc(N)nc(N)c4)nc32)c1.
What is the InChIKey of 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is GUOPDYYTSQNOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-24-18-7-6-17(14-10-19(22)26-20(23)11-14)25-21(18)27(13)8-9-29-16-5-3-4-15(12-16)28-2/h3-7,10-12H,8-9H2,1-2H3,(H4,22,23,26).
What are the key properties of 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 390.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).