1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one

C96H78F17N23O9 — CID 165078346

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one (PubChem CID 165078346) has the molecular formula C96H78F17N23O9 and a molecular weight of 2020.80 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one.

Molecular Properties

• Compound Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one
• PubChem CID: 165078346
• Molecular Formula: C96H78F17N23O9
• Molecular Weight: 2020.80 g/mol
• Exact Mass: 2019.61
• IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one
• SMILES: CCOc1cc2c(cn1)CN(c1ccc3nn(C)cc3c1)C(=O)N2c1ccc(OC(F)F)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4ncc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4nnc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1
• InChI: InChI=1S/C25H20F5N5O2.C24H19F5N6O2.C24H21F2N5O3.C23H18F5N7O2/c1-33-12-16-10-19(6-9-21(16)32-33)34-13-15-2-3-17(31-14-25(28,29)30)11-22(15)35(24(34)36)18-4-7-20(8-5-18)37-23(26)27;1-33-11-14-8-17(4-7-19(14)32-33)34-12-20-21(9-15(10-30-20)31-13-24(27,28)29)35(23(34)36)16-2-5-18(6-3-16)37-22(25)26;1-3-33-22-11-21-16(12-27-22)14-30(18-6-9-20-15(10-18)13-29(2)28-20)24(32)31(21)17-4-7-19(8-5-17)34-23(25)26;1-33-10-13-8-15(4-7-17(13)32-33)34-11-18-19(9-20(31-30-18)29-12-23(26,27)28)35(22(34)36)14-2-5-16(6-3-14)37-21(24)25/h2-12,23,31H,13-14H2,1H3;2-11,22,31H,12-13H2,1H3;4-13,23H,3,14H2,1-2H3;2-10,21H,11-12H2,1H3,(H,29,31)
• InChIKey: URWIFWIGRLBZEZ-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 299.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.80
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one?

The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one (CID 165078346) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one.

What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one?

The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one is CCOc1cc2c(cn1)CN(c1ccc3nn(C)cc3c1)C(=O)N2c1ccc(OC(F)F)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4ncc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4nnc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.

What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one?

The InChIKey is URWIFWIGRLBZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5N5O2.C24H19F5N6O2.C24H21F2N5O3.C23H18F5N7O2/c1-33-12-16-10-19(6-9-21(16)32-33)34-13-15-2-3-17(31-14-25(28,29)30)11-22(15)35(24(34)36)18-4-7-20(8-5-18)37-23(26)27;1-33-11-14-8-17(4-7-19(14)32-33)34-12-20-21(9-15(10-30-20)31-13-24(27,28)29)35(23(34)36)16-2-5-18(6-3-16)37-22(25)26;1-3-33-22-11-21-16(12-27-22)14-30(18-6-9-20-15(10-18)13-29(2)28-20)24(32)31(21)17-4-7-19(8-5-17)34-23(25)26;1-33-10-13-8-15(4-7-17(13)32-33)34-11-18-19(9-20(31-30-18)29-12-23(26,27)28)35(22(34)36)14-2-5-16(6-3-14)37-21(24)25/h2-12,23,31H,13-14H2,1H3;2-11,22,31H,12-13H2,1H3;4-13,23H,3,14H2,1-2H3;2-10,21H,11-12H2,1H3,(H,29,31).

What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one?

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one has a molecular weight of 2020.80 g/mol, XLogP of 22.71, 24 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one is sourced from PubChem (CID 165078346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).