5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C139H132Cl4F9N19O23 — CID 163923735

About 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 163923735) has the molecular formula C139H132Cl4F9N19O23 and a molecular weight of 2749.49 g/mol. Its IUPAC name is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 163923735
• Molecular Formula: C139H132Cl4F9N19O23
• Molecular Weight: 2749.49 g/mol
• Exact Mass: 2745.84
• IUPAC Name: 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(C)Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.CC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(C(F)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(Oc3cccc(Cl)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(F)cc3)c(Oc3ccc(Cl)cc3)cnc21
• InChI: InChI=1S/C25H20F6N4O4.C24H21Cl2N3O4.C24H21ClFN3O4.C24H21ClFN3O3.C21H24FN3O4.C21H25N3O4/c1-34-21-20(22(37)35(23(34)38)8-3-9-36)17(10-14-6-7-19(32-12-14)25(29,30)31)18(13-33-21)39-16-5-2-4-15(11-16)24(26,27)28;1-28-22-21(23(31)29(24(28)32)10-3-11-30)19(12-15-6-8-16(25)9-7-15)20(14-27-22)33-18-5-2-4-17(26)13-18;1-28-22-21(23(31)29(24(28)32)11-2-12-30)19(13-15-3-7-17(26)8-4-15)20(14-27-22)33-18-9-5-16(25)6-10-18;1-28-22-21(23(31)29(24(28)32)10-3-11-30)19(12-15-6-8-17(25)9-7-15)20(14-27-22)16-4-2-5-18(26)13-16;1-13(2)29-17-12-23-19-18(16(17)11-14-5-7-15(22)8-6-14)20(27)25(9-4-10-26)21(28)24(19)3;1-14(2)28-17-13-22-19-18(16(17)12-15-8-5-4-6-9-15)20(26)24(10-7-11-25)21(27)23(19)3/h2,4-7,11-13,36H,3,8-10H2,1H3;2,4-9,13-14,30H,3,10-12H2,1H3;3-10,14,30H,2,11-13H2,1H3;2,4-9,13-14,30H,3,10-12H2,1H3;5-8,12-13,26H,4,9-11H2,1-3H3;4-6,8-9,13-14,25H,7,10-12H2,1-3H3
• InChIKey: RCQRAZYUWQLAQV-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 521.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.49
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 163923735) is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.CC(C)Oc1cnc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(C(F)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(Oc3cccc(Cl)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(F)cc3)c(Oc3ccc(Cl)cc3)cnc21.

What is the InChIKey of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is RCQRAZYUWQLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N4O4.C24H21Cl2N3O4.C24H21ClFN3O4.C24H21ClFN3O3.C21H24FN3O4.C21H25N3O4/c1-34-21-20(22(37)35(23(34)38)8-3-9-36)17(10-14-6-7-19(32-12-14)25(29,30)31)18(13-33-21)39-16-5-2-4-15(11-16)24(26,27)28;1-28-22-21(23(31)29(24(28)32)10-3-11-30)19(12-15-6-8-16(25)9-7-15)20(14-27-22)33-18-5-2-4-17(26)13-18;1-28-22-21(23(31)29(24(28)32)11-2-12-30)19(13-15-3-7-17(26)8-4-15)20(14-27-22)33-18-9-5-16(25)6-10-18;1-28-22-21(23(31)29(24(28)32)10-3-11-30)19(12-15-6-8-17(25)9-7-15)20(14-27-22)16-4-2-5-18(26)13-16;1-13(2)29-17-12-23-19-18(16(17)11-14-5-7-15(22)8-6-14)20(27)25(9-4-10-26)21(28)24(19)3;1-14(2)28-17-13-22-19-18(16(17)12-15-8-5-4-6-9-15)20(26)24(10-7-11-25)21(27)23(19)3/h2,4-7,11-13,36H,3,8-10H2,1H3;2,4-9,13-14,30H,3,10-12H2,1H3;3-10,14,30H,2,11-13H2,1H3;2,4-9,13-14,30H,3,10-12H2,1H3;5-8,12-13,26H,4,9-11H2,1-3H3;4-6,8-9,13-14,25H,7,10-12H2,1-3H3.

What are the key properties of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2749.49 g/mol, XLogP of 19.49, 41 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;6-(3-chlorophenoxy)-5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;6-(4-chlorophenoxy)-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethyl)phenoxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163923735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).