1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one

C91H77ClF8N24O9 — CID 165086219

About 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one

1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 165086219) has the molecular formula C91H77ClF8N24O9 and a molecular weight of 1838.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 165086219
• Molecular Formula: C91H77ClF8N24O9
• Molecular Weight: 1838.21 g/mol
• Exact Mass: 1836.59
• IUPAC Name: 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
• SMILES: CCOc1ccc2c(n1)N(c1ccc(C(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1cnc(C(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
• InChI: InChI=1S/C23H20ClN5O2.C23H19F3N6O3.C23H20F2N6O2.C22H18F3N7O2/c1-3-31-21-11-4-15-14-28(19-9-10-20-16(12-19)13-27(2)26-20)23(30)29(22(15)25-21)18-7-5-17(24)6-8-18;1-3-34-20-8-4-14-13-31(16-5-7-18-15(10-16)12-30(2)29-18)22(33)32(21(14)28-20)17-6-9-19(27-11-17)35-23(24,25)26;1-3-33-20-9-4-14-13-30(16-5-7-18-15(10-16)12-29(2)28-18)23(32)31(22(14)27-20)17-6-8-19(21(24)25)26-11-17;1-3-34-18-7-4-13-12-31(15-5-6-17-14(8-15)11-30(2)29-17)21(33)32(19(13)28-18)16-9-26-20(27-10-16)22(23,24)25/h4-13H,3,14H2,1-2H3;4-12H,3,13H2,1-2H3;4-12,21H,3,13H2,1-2H3;4-11H,3,12H2,1-2H3
• InChIKey: VYIJNYSQTHEGEO-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 314.75 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.21
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one (CID 165086219) is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(C(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1cnc(C(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.

What is the InChIKey of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is VYIJNYSQTHEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2.C23H19F3N6O3.C23H20F2N6O2.C22H18F3N7O2/c1-3-31-21-11-4-15-14-28(19-9-10-20-16(12-19)13-27(2)26-20)23(30)29(22(15)25-21)18-7-5-17(24)6-8-18;1-3-34-20-8-4-14-13-31(16-5-7-18-15(10-16)12-30(2)29-18)22(33)32(21(14)28-20)17-6-9-19(27-11-17)35-23(24,25)26;1-3-33-20-9-4-14-13-30(16-5-7-18-15(10-16)12-29(2)28-18)23(32)31(22(14)27-20)17-6-8-19(21(24)25)26-11-17;1-3-34-18-7-4-13-12-31(15-5-6-17-14(8-15)11-30(2)29-17)21(33)32(19(13)28-18)16-9-26-20(27-10-16)22(23,24)25/h4-13H,3,14H2,1-2H3;4-12H,3,13H2,1-2H3;4-12,21H,3,13H2,1-2H3;4-11H,3,12H2,1-2H3.

What are the key properties of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?

1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1838.21 g/mol, XLogP of 19.67, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 165086219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).