2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one

C26H20N4O — CID 5328646

IUPAC2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(-c3ccccc3)cc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C26H20N4O/c1-30-24-21(17-27-26(29-24)28-22-10-6-3-7-11-22)16-23(25(30)31)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29)
InChIKeyJRPILPQRYRFPBA-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.41
Rot. Bonds4

About 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328646) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328646
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(-c3ccccc3)cc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C26H20N4O/c1-30-24-21(17-27-26(29-24)28-22-10-6-3-7-11-22)16-23(25(30)31)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29)
InChIKeyJRPILPQRYRFPBA-UHFFFAOYSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 5328646) is 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccc(-c3ccccc3)cc2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JRPILPQRYRFPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c1-30-24-21(17-27-26(29-24)28-22-10-6-3-7-11-22)16-23(25(30)31)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29).
What are the key properties of 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.47 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-6-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).