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

C33H35N3O — CID 59314965

IUPAC3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C1CCC(c3ccccc3)CC1)CC2
InChIInChI=1S/C33H35N3O/c1-24-34-31-21-22-35(29-19-17-26(18-20-29)25-11-5-2-6-12-25)23-30(31)33(37)36(24)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,26,29,32H,17-23H2,1H3
InChIKeyHDNOIOQGTSGBOB-UHFFFAOYSA-N
MW489.66 g/mol
LogP6.27
Rot. Bonds5

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

3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 59314965) has the molecular formula C33H35N3O and a molecular weight of 489.66 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID59314965
Molecular FormulaC33H35N3O
Molecular Weight489.66 g/mol
Exact Mass489.28
IUPAC Name3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C1CCC(c3ccccc3)CC1)CC2
InChIInChI=1S/C33H35N3O/c1-24-34-31-21-22-35(29-19-17-26(18-20-29)25-11-5-2-6-12-25)23-30(31)33(37)36(24)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,26,29,32H,17-23H2,1H3
InChIKeyHDNOIOQGTSGBOB-UHFFFAOYSA-N
XLogP6.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-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 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 59314965) is 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C1CCC(c3ccccc3)CC1)CC2.
What is the InChIKey of 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HDNOIOQGTSGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O/c1-24-34-31-21-22-35(29-19-17-26(18-20-29)25-11-5-2-6-12-25)23-30(31)33(37)36(24)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,26,29,32H,17-23H2,1H3.
What are the key properties of 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 489.66 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59314965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).