(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate

C18H17N3O3 — CID 86800875

IUPAC(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCC1COc2ccccc2C1OC(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C18H17N3O3/c1-11-9-23-15-6-4-3-5-13(15)16(11)24-18(22)12-7-14-17(19-8-12)21(2)10-20-14/h3-8,10-11,16H,9H2,1-2H3
InChIKeyLXXNOBVQINROQJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds2

About (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate

(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 86800875) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID86800875
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCC1COc2ccccc2C1OC(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C18H17N3O3/c1-11-9-23-15-6-4-3-5-13(15)16(11)24-18(22)12-7-14-17(19-8-12)21(2)10-20-14/h3-8,10-11,16H,9H2,1-2H3
InChIKeyLXXNOBVQINROQJ-UHFFFAOYSA-N
XLogP2.89
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate 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-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate (CID 86800875) is (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate is CC1COc2ccccc2C1OC(=O)c1cnc2c(c1)ncn2C.
What is the InChIKey of (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is LXXNOBVQINROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-9-23-15-6-4-3-5-13(15)16(11)24-18(22)12-7-14-17(19-8-12)21(2)10-20-14/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
(3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydro-2H-chromen-4-yl) 3-methylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 86800875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).