7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one

C20H15N3O — CID 1490401

IUPAC7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(=O)nc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H15N3O/c1-14-12-13-17-19(21-14)23(16-10-6-3-7-11-16)18(22-20(17)24)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyIAZVINJXHFWZJJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.76
Rot. Bonds2

About 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one

7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 1490401) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
PubChem CID1490401
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(=O)nc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H15N3O/c1-14-12-13-17-19(21-14)23(16-10-6-3-7-11-16)18(22-20(17)24)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyIAZVINJXHFWZJJ-UHFFFAOYSA-N
XLogP3.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one (CID 1490401) is 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one is Cc1ccc2c(=O)nc(-c3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IAZVINJXHFWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-12-13-17-19(21-14)23(16-10-6-3-7-11-16)18(22-20(17)24)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one?
7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1490401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).