8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C30H24N6O — CID 18375257

About 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375257) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 18375257
• Molecular Formula: C30H24N6O
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.20
• IUPAC Name: 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(c1ccc(-c2ccccc2)cc1)n1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21
• InChI: InChI=1S/C30H24N6O/c1-21(22-8-10-24(11-9-22)23-6-3-2-4-7-23)36-28(37)17-12-25-20-31-30(34-29(25)36)33-26-13-15-27(16-14-26)35-19-5-18-32-35/h2-21H,1H3,(H,31,33,34)
• InChIKey: BVBONUSBYKMOPH-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18375257) is 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(c1ccc(-c2ccccc2)cc1)n1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21.

What is the InChIKey of 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BVBONUSBYKMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O/c1-21(22-8-10-24(11-9-22)23-6-3-2-4-7-23)36-28(37)17-12-25-20-31-30(34-29(25)36)33-26-13-15-27(16-14-26)35-19-5-18-32-35/h2-21H,1H3,(H,31,33,34).

What are the key properties of 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.56 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).