7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

C96H87F7N18O12S — CID 164969203

About 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164969203) has the molecular formula C96H87F7N18O12S and a molecular weight of 1852.94 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 164969203
• Molecular Formula: C96H87F7N18O12S
• Molecular Weight: 1852.94 g/mol
• Exact Mass: 1851.65
• IUPAC Name: 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
• SMILES: CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCSc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCF)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
• InChI: InChI=1S/C25H22F3N5O3.C24H21F2N5O3.C24H23N5O2S.C23H21F2N3O4/c1-35-20-6-3-18(4-7-20)33-24-16(2-9-23(29-24)36-15-22(27)28)14-32(25(33)34)19-5-8-21-17(12-19)13-31(30-21)11-10-26;1-3-33-21-11-4-15-14-30(18-7-10-20-16(12-18)13-29(2)28-20)24(32)31(22(15)27-21)17-5-8-19(9-6-17)34-23(25)26;1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18;1-3-31-20-13-4-15-14-27(16-5-9-18(30-2)10-6-16)23(29)28(21(15)26-20)17-7-11-19(12-8-17)32-22(24)25/h2-9,12-13,22H,10-11,14-15H2,1H3;4-13,23H,3,14H2,1-2H3;5-14H,4,15H2,1-3H3;4-13,22H,3,14H2,1-2H3/i1D3
• InChIKey: CWURESSUWOYSDH-AGUGZIQGSA-N
• XLogP: 21.31
• TPSA: 273.06 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.94
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164969203) is 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCSc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCF)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.

What is the InChIKey of 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is CWURESSUWOYSDH-AGUGZIQGSA-N. The full InChI is InChI=1S/C25H22F3N5O3.C24H21F2N5O3.C24H23N5O2S.C23H21F2N3O4/c1-35-20-6-3-18(4-7-20)33-24-16(2-9-23(29-24)36-15-22(27)28)14-32(25(33)34)19-5-8-21-17(12-19)13-31(30-21)11-10-26;1-3-33-21-11-4-15-14-30(18-7-10-20-16(12-18)13-29(2)28-20)24(32)31(22(15)27-21)17-5-8-19(9-6-17)34-23(25)26;1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18;1-3-31-20-13-4-15-14-27(16-5-9-18(30-2)10-6-16)23(29)28(21(15)26-20)17-7-11-19(12-8-17)32-22(24)25/h2-9,12-13,22H,10-11,14-15H2,1H3;4-13,23H,3,14H2,1-2H3;5-14H,4,15H2,1-3H3;4-13,22H,3,14H2,1-2H3/i1D3;;;.

What are the key properties of 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?

7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1852.94 g/mol, XLogP of 21.31, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-difluoroethoxy)-3-[2-(2-fluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethylsulfanyl-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164969203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).