3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C33H30N4O — CID 59314833

About 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 59314833) has the molecular formula C33H30N4O and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 59314833
• Molecular Formula: C33H30N4O
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.24
• IUPAC Name: 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(Cc1ccc(-c3ccccn3)cc1)CC2
• InChI: InChI=1S/C33H30N4O/c1-24-35-31-19-21-36(22-25-15-17-26(18-16-25)30-14-8-9-20-34-30)23-29(31)33(38)37(24)32(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-18,20,32H,19,21-23H2,1H3
• InChIKey: PJOFKEWRLVXCCN-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 59314833) is 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(Cc1ccc(-c3ccccn3)cc1)CC2.

What is the InChIKey of 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is PJOFKEWRLVXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O/c1-24-35-31-19-21-36(22-25-15-17-26(18-16-25)30-14-8-9-20-34-30)23-29(31)33(38)37(24)32(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-18,20,32H,19,21-23H2,1H3.

What are the key properties of 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?

3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 498.63 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzhydryl-2-methyl-6-[(4-pyridin-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59314833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).