5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C121H121ClF7N19O20 — CID 163604451

About 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 163604451) has the molecular formula C121H121ClF7N19O20 and a molecular weight of 2329.85 g/mol. Its IUPAC name is 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 163604451
• Molecular Formula: C121H121ClF7N19O20
• Molecular Weight: 2329.85 g/mol
• Exact Mass: 2327.86
• IUPAC Name: 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(C)c1cccc(Oc2cnc3c(c2Cc2ccccc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2CCC(C)C)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(Oc3cncc(OC(F)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccccc3)c(-c3cccc(F)c3)cnc21
• InChI: InChI=1S/C27H29N3O4.C24H23ClN4O4.C24H19F6N5O5.C24H22FN3O3.C22H28N4O4/c1-18(2)20-11-7-12-21(16-20)34-23-17-28-25-24(22(23)15-19-9-5-4-6-10-19)26(32)30(13-8-14-31)27(33)29(25)3;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;1-34-20-19(21(37)35(22(34)38)5-2-6-36)16(7-13-3-4-18(32-9-13)23(25,26)27)17(12-33-20)39-14-8-15(11-31-10-14)40-24(28,29)30;1-27-22-21(23(30)28(24(27)31)11-6-12-29)19(13-16-7-3-2-4-8-16)20(15-26-22)17-9-5-10-18(25)14-17;1-14(2)6-7-17-18(30-16-10-15(3)11-23-12-16)13-24-20-19(17)21(28)26(8-5-9-27)22(29)25(20)4/h4-7,9-12,16-18,31H,8,13-15H2,1-3H3;4-7,10,12-14,30H,3,8-9,11H2,1-2H3;3-4,8-12,36H,2,5-7H2,1H3;2-5,7-10,14-15,29H,6,11-13H2,1H3;10-14,27H,5-9H2,1-4H3
• InChIKey: HANRFMCZFMHLSB-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 483.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2329.85
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 163604451) is 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

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

The canonical SMILES for 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1cccc(Oc2cnc3c(c2Cc2ccccc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2CCC(C)C)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(Oc3cncc(OC(F)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccccc3)c(-c3cccc(F)c3)cnc21.

What is the InChIKey of 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is HANRFMCZFMHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4.C24H23ClN4O4.C24H19F6N5O5.C24H22FN3O3.C22H28N4O4/c1-18(2)20-11-7-12-21(16-20)34-23-17-28-25-24(22(23)15-19-9-5-4-6-10-19)26(32)30(13-8-14-31)27(33)29(25)3;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;1-34-20-19(21(37)35(22(34)38)5-2-6-36)16(7-13-3-4-18(32-9-13)23(25,26)27)17(12-33-20)39-14-8-15(11-31-10-14)40-24(28,29)30;1-27-22-21(23(30)28(24(27)31)11-6-12-29)19(13-16-7-3-2-4-8-16)20(15-26-22)17-9-5-10-18(25)14-17;1-14(2)6-7-17-18(30-16-10-15(3)11-23-12-16)13-24-20-19(17)21(28)26(8-5-9-27)22(29)25(20)4/h4-7,9-12,16-18,31H,8,13-15H2,1-3H3;4-7,10,12-14,30H,3,8-9,11H2,1-2H3;3-4,8-12,36H,2,5-7H2,1H3;2-5,7-10,14-15,29H,6,11-13H2,1H3;10-14,27H,5-9H2,1-4H3.

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

5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2329.85 g/mol, XLogP of 16.21, 37 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)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;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163604451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).