N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C28H22N4O2 — CID 121363507

IUPACN-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1nc2ccccn2c1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C28H22N4O2/c1-18-27(32-12-3-2-7-26(32)31-18)20-6-4-5-19(13-20)15-30-28(33)21-8-9-24-23-10-11-29-16-22(23)17-34-25(24)14-21/h2-14,16H,15,17H2,1H3,(H,30,33)
InChIKeyXLANSXXNDRUZDV-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.19
Rot. Bonds4

About N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363507) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363507
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC NameN-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1nc2ccccn2c1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C28H22N4O2/c1-18-27(32-12-3-2-7-26(32)31-18)20-6-4-5-19(13-20)15-30-28(33)21-8-9-24-23-10-11-29-16-22(23)17-34-25(24)14-21/h2-14,16H,15,17H2,1H3,(H,30,33)
InChIKeyXLANSXXNDRUZDV-UHFFFAOYSA-N
XLogP5.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide 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 N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363507) is N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is Cc1nc2ccccn2c1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is XLANSXXNDRUZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-18-27(32-12-3-2-7-26(32)31-18)20-6-4-5-19(13-20)15-30-28(33)21-8-9-24-23-10-11-29-16-22(23)17-34-25(24)14-21/h2-14,16H,15,17H2,1H3,(H,30,33).
What are the key properties of N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylimidazo[1,2-a]pyridin-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).