1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one

C96H87F3N26O8 — CID 164951453

About 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one

1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164951453) has the molecular formula C96H87F3N26O8 and a molecular weight of 1789.92 g/mol. Its IUPAC name is 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 164951453
• Molecular Formula: C96H87F3N26O8
• Molecular Weight: 1789.92 g/mol
• Exact Mass: 1788.72
• IUPAC Name: 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one
• SMILES: CCOc1ccc2c(n1)N(c1ccc(-c3ncn[nH]3)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C3CC3)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
• InChI: InChI=1S/C25H22N8O2.C25H24N6O2.C23H19F3N6O2.C23H22N6O2/c1-3-35-22-11-6-17-14-32(20-9-10-21-18(12-20)13-31(2)30-21)25(34)33(24(17)28-22)19-7-4-16(5-8-19)23-26-15-27-29-23;1-3-33-23-11-6-17-15-30(19-7-10-22-18(12-19)14-29(2)28-22)25(32)31(24(17)27-23)20-8-9-21(26-13-20)16-4-5-16;1-3-34-20-9-4-14-13-31(16-5-7-18-15(10-16)12-30(2)29-18)22(33)32(21(14)28-20)17-6-8-19(27-11-17)23(24,25)26;1-4-31-21-10-6-16-14-28(18-8-9-20-17(11-18)13-27(3)26-20)23(30)29(22(16)25-21)19-7-5-15(2)24-12-19/h4-13,15H,3,14H2,1-2H3,(H,26,27,29);6-14,16H,3-5,15H2,1-2H3;4-12H,3,13H2,1-2H3;5-13H,4,14H2,1-3H3
• InChIKey: AOZDMVTXHGRSEM-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 334.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.92
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164951453) is 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(-c3ncn[nH]3)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(C3CC3)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.

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

The InChIKey is AOZDMVTXHGRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2.C25H24N6O2.C23H19F3N6O2.C23H22N6O2/c1-3-35-22-11-6-17-14-32(20-9-10-21-18(12-20)13-31(2)30-21)25(34)33(24(17)28-22)19-7-4-16(5-8-19)23-26-15-27-29-23;1-3-33-23-11-6-17-15-30(19-7-10-22-18(12-19)14-29(2)28-22)25(32)31(24(17)27-23)20-8-9-21(26-13-20)16-4-5-16;1-3-34-20-9-4-14-13-31(16-5-7-18-15(10-16)12-30(2)29-18)22(33)32(21(14)28-20)17-6-8-19(27-11-17)23(24,25)26;1-4-31-21-10-6-16-14-28(18-8-9-20-17(11-18)13-27(3)26-20)23(30)29(22(16)25-21)19-7-5-15(2)24-12-19/h4-13,15H,3,14H2,1-2H3,(H,26,27,29);6-14,16H,3-5,15H2,1-2H3;4-12H,3,13H2,1-2H3;5-13H,4,14H2,1-3H3.

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

1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1789.92 g/mol, XLogP of 18.76, 18 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-cyclopropyl-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-methyl-3-pyridinyl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164951453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).