5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione

C147H145Cl3F6N20O24 — CID 161478627

About 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione

5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 161478627) has the molecular formula C147H145Cl3F6N20O24 and a molecular weight of 2796.24 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 161478627
• Molecular Formula: C147H145Cl3F6N20O24
• Molecular Weight: 2796.24 g/mol
• Exact Mass: 2792.97
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: Cc1ccc(Cc2c(OC(C)C)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1ccc(Oc2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)cc1.Cc1ccc(Oc2cnc3c(c2Cc2ccc(F)cc2)c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(-c2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(OC(C)(F)F)c3)cnc21
• InChI: InChI=1S/C26H23F5N4O5.C25H24ClN3O4.C25H24ClN3O3.C25H24FN3O4.C24H23ClN4O4.C22H27N3O4/c1-25(27,28)40-17-6-3-5-16(12-17)39-19-14-33-22-21(23(37)35(9-4-10-36)24(38)34(22)2)18(19)11-15-7-8-20(32-13-15)26(29,30)31;1-16-4-10-19(11-5-16)33-21-15-27-23-22(20(21)14-17-6-8-18(26)9-7-17)24(31)29(12-3-13-30)25(32)28(23)2;1-16-5-3-6-18(13-16)21-15-27-23-22(20(21)14-17-7-9-19(26)10-8-17)24(31)29(11-4-12-30)25(32)28(23)2;1-16-4-10-19(11-5-16)33-21-15-27-23-22(20(21)14-17-6-8-18(26)9-7-17)24(31)29(12-3-13-30)25(32)28(23)2;1-15-10-18(13-26-12-15)33-20-14-27-22-21(19(20)11-16-4-6-17(25)7-5-16)23(31)29(8-3-9-30)24(32)28(22)2;1-14(2)29-18-13-23-20-19(17(18)12-16-8-6-15(3)7-9-16)21(27)25(10-5-11-26)22(28)24(20)4/h3,5-8,12-14,36H,4,9-11H2,1-2H3;4-11,15,30H,3,12-14H2,1-2H3;3,5-10,13,15,30H,4,11-12,14H2,1-2H3;4-11,15,30H,3,12-14H2,1-2H3;4-7,10,12-14,30H,3,8-9,11H2,1-2H3;6-9,13-14,26H,5,10-12H2,1-4H3
• InChIKey: WEBAYPWSDFCQDP-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 543.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 43
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2796.24
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione (CID 161478627) is 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione.

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

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(Cc2c(OC(C)C)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1ccc(Oc2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)cc1.Cc1ccc(Oc2cnc3c(c2Cc2ccc(F)cc2)c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(-c2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2Cc2ccc(Cl)cc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(OC(C)(F)F)c3)cnc21.

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

The InChIKey is WEBAYPWSDFCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N4O5.C25H24ClN3O4.C25H24ClN3O3.C25H24FN3O4.C24H23ClN4O4.C22H27N3O4/c1-25(27,28)40-17-6-3-5-16(12-17)39-19-14-33-22-21(23(37)35(9-4-10-36)24(38)34(22)2)18(19)11-15-7-8-20(32-13-15)26(29,30)31;1-16-4-10-19(11-5-16)33-21-15-27-23-22(20(21)14-17-6-8-18(26)9-7-17)24(31)29(12-3-13-30)25(32)28(23)2;1-16-5-3-6-18(13-16)21-15-27-23-22(20(21)14-17-7-9-19(26)10-8-17)24(31)29(11-4-12-30)25(32)28(23)2;1-16-4-10-19(11-5-16)33-21-15-27-23-22(20(21)14-17-6-8-18(26)9-7-17)24(31)29(12-3-13-30)25(32)28(23)2;1-15-10-18(13-26-12-15)33-20-14-27-22-21(19(20)11-16-4-6-17(25)7-5-16)23(31)29(8-3-9-30)24(32)28(22)2;1-14(2)29-18-13-23-20-19(17(18)12-16-8-6-15(3)7-9-16)21(27)25(10-5-11-26)22(28)24(20)4/h3,5-8,12-14,36H,4,9-11H2,1-2H3;4-11,15,30H,3,12-14H2,1-2H3;3,5-10,13,15,30H,4,11-12,14H2,1-2H3;4-11,15,30H,3,12-14H2,1-2H3;4-7,10,12-14,30H,3,8-9,11H2,1-2H3;6-9,13-14,26H,5,10-12H2,1-4H3.

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

5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2796.24 g/mol, XLogP of 20.48, 43 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;6-[3-(1,1-difluoroethoxy)phenoxy]-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(4-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 161478627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).