cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

C141H153F2N15O17 — CID 161393550

About cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 161393550) has the molecular formula C141H153F2N15O17 and a molecular weight of 2367.86 g/mol. Its IUPAC name is cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

• Compound Name: cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
• PubChem CID: 161393550
• Molecular Formula: C141H153F2N15O17
• Molecular Weight: 2367.86 g/mol
• Exact Mass: 2366.15
• IUPAC Name: cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
• SMILES: Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(=O)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(C)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(F)(F)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(O)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCCCC1)C2
• InChI: InChI=1S/C29H33N3O3.C28H29F2N3O3.C28H31N3O4.C28H29N3O4.C28H31N3O3/c1-20-13-15-24(16-14-20)35-29(34)31-18-17-25-26(19-31)30-21(2)32(28(25)33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23;1-19-31-24-18-32(27(35)36-22-12-15-28(29,30)16-13-22)17-14-23(24)26(34)33(19)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;2*1-19-29-25-18-30(28(34)35-23-14-12-22(32)13-15-23)17-16-24(25)27(33)31(19)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-20-29-25-19-30(28(33)34-23-15-9-4-10-16-23)18-17-24(25)27(32)31(20)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h3-12,20,24,27H,13-19H2,1-2H3;2-11,22,25H,12-18H2,1H3;2-11,22-23,26,32H,12-18H2,1H3;2-11,23,26H,12-18H2,1H3;2-3,5-8,11-14,23,26H,4,9-10,15-19H2,1H3
• InChIKey: VTHNAPDBBYOXMZ-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 359.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.86
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The IUPAC name of cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (CID 161393550) is cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

What is the SMILES notation for cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The canonical SMILES for cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(=O)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(C)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(F)(F)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCC(O)CC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC1CCCCC1)C2.

What is the InChIKey of cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

The InChIKey is VTHNAPDBBYOXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3.C28H29F2N3O3.C28H31N3O4.C28H29N3O4.C28H31N3O3/c1-20-13-15-24(16-14-20)35-29(34)31-18-17-25-26(19-31)30-21(2)32(28(25)33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23;1-19-31-24-18-32(27(35)36-22-12-15-28(29,30)16-13-22)17-14-23(24)26(34)33(19)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;2*1-19-29-25-18-30(28(34)35-23-14-12-22(32)13-15-23)17-16-24(25)27(33)31(19)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-20-29-25-19-30(28(33)34-23-15-9-4-10-16-23)18-17-24(25)27(32)31(20)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h3-12,20,24,27H,13-19H2,1-2H3;2-11,22,25H,12-18H2,1H3;2-11,22-23,26,32H,12-18H2,1H3;2-11,23,26H,12-18H2,1H3;2-3,5-8,11-14,23,26H,4,9-10,15-19H2,1H3.

What are the key properties of cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?

cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 2367.86 g/mol, XLogP of 23.73, 20 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4,4-difluorocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-hydroxycyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-methylcyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;(4-oxocyclohexyl) 3-benzhydryl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 161393550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).