3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine

C16H16N4O — CID 81140889

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC3Cc4ccccc4O3)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-7-13-15(18-10)20(16(17)19-13)9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H2,17,19)
InChIKeyCXWZRXNAWJUYLM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.33
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81140889) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81140889
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC3Cc4ccccc4O3)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-7-13-15(18-10)20(16(17)19-13)9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H2,17,19)
InChIKeyCXWZRXNAWJUYLM-UHFFFAOYSA-N
XLogP2.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81140889) is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(CC3Cc4ccccc4O3)c2n1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is CXWZRXNAWJUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-7-13-15(18-10)20(16(17)19-13)9-12-8-11-4-2-3-5-14(11)21-12/h2-7,12H,8-9H2,1H3,(H2,17,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81140889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).