2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

C15H14N4O — CID 63758840

IUPAC2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCn1c(C2CNc3ccccc3O2)nc2cccnc21
InChIInChI=1S/C15H14N4O/c1-19-14-11(6-4-8-16-14)18-15(19)13-9-17-10-5-2-3-7-12(10)20-13/h2-8,13,17H,9H2,1H3
InChIKeyMKUSKHZXJXSSCQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.51
Rot. Bonds1

About 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 63758840) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID63758840
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCn1c(C2CNc3ccccc3O2)nc2cccnc21
InChIInChI=1S/C15H14N4O/c1-19-14-11(6-4-8-16-14)18-15(19)13-9-17-10-5-2-3-7-12(10)20-13/h2-8,13,17H,9H2,1H3
InChIKeyMKUSKHZXJXSSCQ-UHFFFAOYSA-N
XLogP2.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine 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 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 63758840) is 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is Cn1c(C2CNc3ccccc3O2)nc2cccnc21.
What is the InChIKey of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is MKUSKHZXJXSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-14-11(6-4-8-16-14)18-15(19)13-9-17-10-5-2-3-7-12(10)20-13/h2-8,13,17H,9H2,1H3.
What are the key properties of 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 266.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 63758840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).