7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one

C28H21Cl2NO3 — CID 67330514

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(OCc2ccccc2)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C28H21Cl2NO3/c1-28(33-17-18-7-3-2-4-8-18)16-25(32)23-15-22(19-11-13-20(29)14-12-19)26(31-27(23)34-28)21-9-5-6-10-24(21)30/h2-15H,16-17H2,1H3
InChIKeyZRGJOAMIHCJLTR-UHFFFAOYSA-N
MW490.39 g/mol
LogP7.62
Rot. Bonds5

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one (PubChem CID 67330514) has the molecular formula C28H21Cl2NO3 and a molecular weight of 490.39 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one
PubChem CID67330514
Molecular FormulaC28H21Cl2NO3
Molecular Weight490.39 g/mol
Exact Mass489.09
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one
SMILESCC1(OCc2ccccc2)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C28H21Cl2NO3/c1-28(33-17-18-7-3-2-4-8-18)16-25(32)23-15-22(19-11-13-20(29)14-12-19)26(31-27(23)34-28)21-9-5-6-10-24(21)30/h2-15H,16-17H2,1H3
InChIKeyZRGJOAMIHCJLTR-UHFFFAOYSA-N
XLogP7.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one 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 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one (CID 67330514) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one is CC1(OCc2ccccc2)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one?
The InChIKey is ZRGJOAMIHCJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2NO3/c1-28(33-17-18-7-3-2-4-8-18)16-25(32)23-15-22(19-11-13-20(29)14-12-19)26(31-27(23)34-28)21-9-5-6-10-24(21)30/h2-15H,16-17H2,1H3.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one has a molecular weight of 490.39 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-methyl-2-phenylmethoxy-3H-pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 67330514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).