1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione

C91H74ClF13N24O9 — CID 165071183

About 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione

1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 165071183) has the molecular formula C91H74ClF13N24O9 and a molecular weight of 1930.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
• PubChem CID: 165071183
• Molecular Formula: C91H74ClF13N24O9
• Molecular Weight: 1930.18 g/mol
• Exact Mass: 1928.56
• IUPAC Name: 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
• SMILES: CCNc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.COc1ccc(-n2c(=O)c3cnc(NCC(F)(F)F)nc3n(-c3ccc(O)cc3)c2=O)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4cnc(NCC(F)(F)F)nc4N(c4ccc(Cl)cc4)C3=O)ccc2n1
• InChI: InChI=1S/C24H19F5N6O2.C24H22F2N6O2.C22H17ClF3N7O.C21H16F3N5O4/c1-33-11-15-10-17(5-8-19(15)32-33)34-12-14-2-9-20(30-13-24(27,28)29)31-21(14)35(23(34)36)16-3-6-18(7-4-16)37-22(25)26;1-3-27-21-11-4-15-14-31(18-7-10-20-16(12-18)13-30(2)29-20)24(33)32(22(15)28-21)17-5-8-19(9-6-17)34-23(25)26;1-31-10-13-8-17(6-7-18(13)30-31)32-11-14-9-27-20(28-12-22(24,25)26)29-19(14)33(21(32)34)16-4-2-15(23)3-5-16;1-33-15-8-4-13(5-9-15)29-18(31)16-10-25-19(26-11-21(22,23)24)27-17(16)28(20(29)32)12-2-6-14(30)7-3-12/h2-11,22H,12-13H2,1H3,(H,30,31);4-13,23H,3,14H2,1-2H3,(H,27,28);2-10H,11-12H2,1H3,(H,27,28,29);2-10,30H,11H2,1H3,(H,25,26,27)
• InChIKey: STZPZCZTSPMZJK-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 341.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.18
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?

The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione (CID 165071183) is 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?

The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione is CCNc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.COc1ccc(-n2c(=O)c3cnc(NCC(F)(F)F)nc3n(-c3ccc(O)cc3)c2=O)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4cnc(NCC(F)(F)F)nc4N(c4ccc(Cl)cc4)C3=O)ccc2n1.

What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?

The InChIKey is STZPZCZTSPMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6O2.C24H22F2N6O2.C22H17ClF3N7O.C21H16F3N5O4/c1-33-11-15-10-17(5-8-19(15)32-33)34-12-14-2-9-20(30-13-24(27,28)29)31-21(14)35(23(34)36)16-3-6-18(7-4-16)37-22(25)26;1-3-27-21-11-4-15-14-31(18-7-10-20-16(12-18)13-30(2)29-20)24(33)32(22(15)28-21)17-5-8-19(9-6-17)34-23(25)26;1-31-10-13-8-17(6-7-18(13)30-31)32-11-14-9-27-20(28-12-22(24,25)26)29-19(14)33(21(32)34)16-4-2-15(23)3-5-16;1-33-15-8-4-13(5-9-15)29-18(31)16-10-25-19(26-11-21(22,23)24)27-17(16)28(20(29)32)12-2-6-14(30)7-3-12/h2-11,22H,12-13H2,1H3,(H,30,31);4-13,23H,3,14H2,1-2H3,(H,27,28);2-10H,11-12H2,1H3,(H,27,28,29);2-10,30H,11H2,1H3,(H,25,26,27).

What are the key properties of 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?

1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 1930.18 g/mol, XLogP of 18.99, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 165071183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).