1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine

C18H17N5O — CID 155542982

IUPAC1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1
InChIInChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyUMYWGBFTJUFYQW-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.86
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine

1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155542982) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155542982
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1
InChIInChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyUMYWGBFTJUFYQW-UHFFFAOYSA-N
XLogP3.86
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine (CID 155542982) is 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine is CNc1nc2cnc(Nc3ccccc3)cc2n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is UMYWGBFTJUFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-19-18-22-15-11-20-17(21-13-6-3-2-4-7-13)10-16(15)23(18)12-14-8-5-9-24-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine?
1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 319.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155542982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).