6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C94H99Cl2F6N15O15 — CID 163445224

About 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 163445224) has the molecular formula C94H99Cl2F6N15O15 and a molecular weight of 1863.81 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 163445224
• Molecular Formula: C94H99Cl2F6N15O15
• Molecular Weight: 1863.81 g/mol
• Exact Mass: 1861.67
• IUPAC Name: 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C.Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(Cl)c3)cnc21
• InChI: InChI=1S/C27H28ClN3O3.C24H20ClF3N4O4.C24H22F3N5O4.C19H29N3O4/c1-17(2)20-7-4-5-8-21(20)23-16-29-25-24(22(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-31-21-20(22(34)32(23(31)35)8-3-9-33)17(10-14-6-7-19(29-12-14)24(26,27)28)18(13-30-21)36-16-5-2-4-15(25)11-16;1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27;1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3;2,4-7,11-13,33H,3,8-10H2,1H3;4-5,8,10-13,33H,3,6-7,9H2,1-2H3;11-13,23H,6-10H2,1-5H3
• InChIKey: BBXZHPXUHSGCCC-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 374.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.81
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 163445224) is 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

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

The canonical SMILES for 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C.Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Oc3cccc(Cl)c3)cnc21.

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

The InChIKey is BBXZHPXUHSGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3.C24H20ClF3N4O4.C24H22F3N5O4.C19H29N3O4/c1-17(2)20-7-4-5-8-21(20)23-16-29-25-24(22(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-31-21-20(22(34)32(23(31)35)8-3-9-33)17(10-14-6-7-19(29-12-14)24(26,27)28)18(13-30-21)36-16-5-2-4-15(25)11-16;1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27;1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3;2,4-7,11-13,33H,3,8-10H2,1H3;4-5,8,10-13,33H,3,6-7,9H2,1-2H3;11-13,23H,6-10H2,1-5H3.

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

6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1863.81 g/mol, XLogP of 13.27, 29 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163445224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).