4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C18H18N6S — CID 135335931

IUPAC4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccsc1
InChIInChI=1S/C18H18N6S/c1-11-21-15-3-2-14(13-8-16(19)23-17(20)9-13)22-18(15)24(11)6-4-12-5-7-25-10-12/h2-3,5,7-10H,4,6H2,1H3,(H4,19,20,23)
InChIKeyKXLKFJBHAQPZIH-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.27
Rot. Bonds4

About 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335931) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335931
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccsc1
InChIInChI=1S/C18H18N6S/c1-11-21-15-3-2-14(13-8-16(19)23-17(20)9-13)22-18(15)24(11)6-4-12-5-7-25-10-12/h2-3,5,7-10H,4,6H2,1H3,(H4,19,20,23)
InChIKeyKXLKFJBHAQPZIH-UHFFFAOYSA-N
XLogP3.27
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[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-[2-methyl-3-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135283877
4-[3-(2-cyclopentylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336108
4-[[5-(2,6-diamino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]benzonitrile
CID 135335878
4-[3-[(2,2-dimethylcyclopropyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335906
4-[3-[2-(3-methoxyphenoxy)ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335997
4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335953
6-N-benzyl-4-(3-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335944
4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336016
4-[2-methyl-3-(2-phenoxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335804
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-[2-methyl-3-(2-pyridin-2-yloxypropyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335882

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335931) is 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCc1ccsc1.
What is the InChIKey of 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is KXLKFJBHAQPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-11-21-15-3-2-14(13-8-16(19)23-17(20)9-13)22-18(15)24(11)6-4-12-5-7-25-10-12/h2-3,5,7-10H,4,6H2,1H3,(H4,19,20,23).
What are the key properties of 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 350.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).