6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one

C96H80ClF13N18O12 — CID 165004446

About 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one

6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 165004446) has the molecular formula C96H80ClF13N18O12 and a molecular weight of 1960.24 g/mol. Its IUPAC name is 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one
• PubChem CID: 165004446
• Molecular Formula: C96H80ClF13N18O12
• Molecular Weight: 1960.24 g/mol
• Exact Mass: 1958.57
• IUPAC Name: 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one
• SMILES: CCOc1cnc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1cnc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(Cl)c(OCC(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4cnc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1
• InChI: InChI=1S/C25H19ClF4N4O3.C24H19F5N6O2.C24H21F2N5O3.C23H21F2N3O4/c1-32-11-14-8-17(4-7-20(14)31-32)33-12-15-9-19(26)22(36-13-23(27)28)10-21(15)34(25(33)35)16-2-5-18(6-3-16)37-24(29)30;1-33-11-14-8-17(4-7-19(14)32-33)34-12-15-10-30-21(31-13-24(27,28)29)9-20(15)35(23(34)36)16-2-5-18(6-3-16)37-22(25)26;1-3-33-19-11-22-21(27-12-19)14-30(17-6-9-20-15(10-17)13-29(2)28-20)24(32)31(22)16-4-7-18(8-5-16)34-23(25)26;1-3-31-19-12-21-20(26-13-19)14-27(15-4-8-17(30-2)9-5-15)23(29)28(21)16-6-10-18(11-7-16)32-22(24)25/h2-11,23-24H,12-13H2,1H3;2-11,22H,12-13H2,1H3,(H,30,31);4-13,23H,3,14H2,1-2H3;4-13,22H,3,14H2,1-2H3
• InChIKey: ITCMACGZKHSFOJ-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 272.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.24
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one (CID 165004446) is 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one.

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

The canonical SMILES for 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one is CCOc1cnc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1cnc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(Cl)c(OCC(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4cnc(NCC(F)(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.

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

The InChIKey is ITCMACGZKHSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF4N4O3.C24H19F5N6O2.C24H21F2N5O3.C23H21F2N3O4/c1-32-11-14-8-17(4-7-20(14)31-32)33-12-15-9-19(26)22(36-13-23(27)28)10-21(15)34(25(33)35)16-2-5-18(6-3-16)37-24(29)30;1-33-11-14-8-17(4-7-19(14)32-33)34-12-15-10-30-21(31-13-24(27,28)29)9-20(15)35(23(34)36)16-2-5-18(6-3-16)37-22(25)26;1-3-33-19-11-22-21(27-12-19)14-30(17-6-9-20-15(10-17)13-29(2)28-20)24(32)31(22)16-4-7-18(8-5-16)34-23(25)26;1-3-31-19-12-21-20(26-13-19)14-27(15-4-8-17(30-2)9-5-15)23(29)28(21)16-6-10-18(11-7-16)32-22(24)25/h2-11,23-24H,12-13H2,1H3;2-11,22H,12-13H2,1H3,(H,30,31);4-13,23H,3,14H2,1-2H3;4-13,22H,3,14H2,1-2H3.

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

6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 1960.24 g/mol, XLogP of 23.19, 26 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 165004446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).