4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C118H101ClF14N20O18S — CID 173164018

About 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 173164018) has the molecular formula C118H101ClF14N20O18S and a molecular weight of 2420.72 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 173164018
• Molecular Formula: C118H101ClF14N20O18S
• Molecular Weight: 2420.72 g/mol
• Exact Mass: 2418.68
• IUPAC Name: 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(O)N(CO)c1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1.COc1ccc(-c2nc(N(CO)C(C)O)nc3c2ccc(=O)n3-c2ccc(C(F)(F)F)cc2)cc1.COc1cccc(-c2nc(N(CO)C(C)O)nc3c2ccc(=O)n3-c2ccc(C(F)(F)F)cc2)c1.COc1ccccc1-c1nc(N(CO)C(C)O)nc2c1ccc(=O)n2-c1ccc(C(F)(F)F)cc1.CSc1cccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2ccc(F)cc2F)c1
• InChI: InChI=1S/3C24H21F3N4O4.C23H18ClF3N4O3.C23H20F2N4O3S/c1-14(33)30(13-32)23-28-21(15-3-9-18(35-2)10-4-15)19-11-12-20(34)31(22(19)29-23)17-7-5-16(6-8-17)24(25,26)27;1-14(33)30(13-32)23-28-21(15-4-3-5-18(12-15)35-2)19-10-11-20(34)31(22(19)29-23)17-8-6-16(7-9-17)24(25,26)27;1-14(33)30(13-32)23-28-21(17-5-3-4-6-19(17)35-2)18-11-12-20(34)31(22(18)29-23)16-9-7-15(8-10-16)24(25,26)27;1-13(33)30(12-32)22-28-20(16-4-2-3-5-18(16)24)17-10-11-19(34)31(21(17)29-22)15-8-6-14(7-9-15)23(25,26)27;1-33-16-4-2-3-13(9-16)21-17-6-8-20(32)29(19-7-5-14(24)10-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31/h3*3-12,14,32-33H,13H2,1-2H3;2-11,13,32-33H,12H2,1H3;2-10,15,30-31H,11-12H2,1H3,(H,26,27,28)
• InChIKey: GRNHYMBWGPGNFJ-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 493.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.72
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 173164018) is 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CC(O)N(CO)c1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1.COc1ccc(-c2nc(N(CO)C(C)O)nc3c2ccc(=O)n3-c2ccc(C(F)(F)F)cc2)cc1.COc1cccc(-c2nc(N(CO)C(C)O)nc3c2ccc(=O)n3-c2ccc(C(F)(F)F)cc2)c1.COc1ccccc1-c1nc(N(CO)C(C)O)nc2c1ccc(=O)n2-c1ccc(C(F)(F)F)cc1.CSc1cccc(-c2nc(NC(CO)CO)nc3c2ccc(=O)n3-c2ccc(F)cc2F)c1.

What is the InChIKey of 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GRNHYMBWGPGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H21F3N4O4.C23H18ClF3N4O3.C23H20F2N4O3S/c1-14(33)30(13-32)23-28-21(15-3-9-18(35-2)10-4-15)19-11-12-20(34)31(22(19)29-23)17-7-5-16(6-8-17)24(25,26)27;1-14(33)30(13-32)23-28-21(15-4-3-5-18(12-15)35-2)19-10-11-20(34)31(22(19)29-23)17-8-6-16(7-9-17)24(25,26)27;1-14(33)30(13-32)23-28-21(17-5-3-4-6-19(17)35-2)18-11-12-20(34)31(22(18)29-23)16-9-7-15(8-10-16)24(25,26)27;1-13(33)30(12-32)22-28-20(16-4-2-3-5-18(16)24)17-10-11-19(34)31(21(17)29-22)15-8-6-14(7-9-15)23(25,26)27;1-33-16-4-2-3-13(9-16)21-17-6-8-20(32)29(19-7-5-14(24)10-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31/h3*3-12,14,32-33H,13H2,1-2H3;2-11,13,32-33H,12H2,1H3;2-10,15,30-31H,11-12H2,1H3,(H,26,27,28).

What are the key properties of 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2420.72 g/mol, XLogP of 18.14, 30 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chlorophenyl)-2-[1-hydroxyethyl(hydroxymethyl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(3-methylsulfanylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(2-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(3-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[1-hydroxyethyl(hydroxymethyl)amino]-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 173164018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).