3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one

C98H83F8N25O9 — CID 165064721

About 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one

3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 165064721) has the molecular formula C98H83F8N25O9 and a molecular weight of 1909.91 g/mol. Its IUPAC name is 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 165064721
• Molecular Formula: C98H83F8N25O9
• Molecular Weight: 1909.91 g/mol
• Exact Mass: 1908.69
• IUPAC Name: 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one
• SMILES: CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(C#N)cc1)C2.COc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(-c4ncn[nH]4)cc3)C2=O)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(-c5ncn[nH]5)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C5CC5)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
• InChI: InChI=1S/C26H23F2N5O3.C25H20F3N9O.C24H20F3N7O2.C23H20N4O3/c1-35-21-8-5-19(6-9-21)33-25-16(2-11-24(29-25)36-15-23(27)28)13-31(26(33)34)20-7-10-22-17(12-20)14-32(30-22)18-3-4-18;1-35-11-17-10-19(7-8-20(17)34-35)36-12-16-4-9-21(29-13-25(26,27)28)32-23(16)37(24(36)38)18-5-2-15(3-6-18)22-30-14-31-33-22;1-36-19-9-7-17(8-10-19)33-12-16-4-11-20(28-13-24(25,26)27)31-22(16)34(23(33)35)18-5-2-15(3-6-18)21-29-14-30-32-21;1-3-30-21-13-6-17-15-26(18-7-4-16(14-24)5-8-18)23(28)27(22(17)25-21)19-9-11-20(29-2)12-10-19/h2,5-12,14,18,23H,3-4,13,15H2,1H3;2-11,14H,12-13H2,1H3,(H,29,32)(H,30,31,33);2-11,14H,12-13H2,1H3,(H,28,31)(H,29,30,32);4-13H,3,15H2,1-2H3/i1D3
• InChIKey: RTWHNADTOGBZCN-AGUGZIQGSA-N
• XLogP: 20.47
• TPSA: 358.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.91
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 165064721) is 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(C#N)cc1)C2.COc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(-c4ncn[nH]4)cc3)C2=O)cc1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(-c5ncn[nH]5)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C5CC5)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.

What is the InChIKey of 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is RTWHNADTOGBZCN-AGUGZIQGSA-N. The full InChI is InChI=1S/C26H23F2N5O3.C25H20F3N9O.C24H20F3N7O2.C23H20N4O3/c1-35-21-8-5-19(6-9-21)33-25-16(2-11-24(29-25)36-15-23(27)28)13-31(26(33)34)20-7-10-22-17(12-20)14-32(30-22)18-3-4-18;1-35-11-17-10-19(7-8-20(17)34-35)36-12-16-4-9-21(29-13-25(26,27)28)32-23(16)37(24(36)38)18-5-2-15(3-6-18)22-30-14-31-33-22;1-36-19-9-7-17(8-10-19)33-12-16-4-11-20(28-13-24(25,26)27)31-22(16)34(23(33)35)18-5-2-15(3-6-18)21-29-14-30-32-21;1-3-30-21-13-6-17-15-26(18-7-4-16(14-24)5-8-18)23(28)27(22(17)25-21)19-9-11-20(29-2)12-10-19/h2,5-12,14,18,23H,3-4,13,15H2,1H3;2-11,14H,12-13H2,1H3,(H,29,32)(H,30,31,33);2-11,14H,12-13H2,1H3,(H,28,31)(H,29,30,32);4-13H,3,15H2,1-2H3/i1D3;;;.

What are the key properties of 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one?

3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1909.91 g/mol, XLogP of 20.47, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 165064721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).