1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one

C95H83BrF6N20O11 — CID 164999469

About 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one

1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164999469) has the molecular formula C95H83BrF6N20O11 and a molecular weight of 1883.78 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 164999469
• Molecular Formula: C95H83BrF6N20O11
• Molecular Weight: 1883.78 g/mol
• Exact Mass: 1881.62
• IUPAC Name: 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one
• SMILES: Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc(Br)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4ncn(C)c4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC)nc32)cc1
• InChI: InChI=1S/2C24H21F2N5O3.C24H23N5O3.C23H18BrF2N5O2/c1-29-12-16-11-18(6-9-20(16)28-29)30-13-15-3-10-22(34-14-21(25)26)27-23(15)31(24(30)32)17-4-7-19(33-2)8-5-17;1-29-14-27-19-9-6-17(11-20(19)29)30-12-15-3-10-22(34-13-21(25)26)28-23(15)31(24(30)32)16-4-7-18(33-2)8-5-16;1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18;1-29-11-15-10-18(7-8-19(15)28-29)30-12-14-2-9-21(33-13-20(25)26)27-22(14)31(23(30)32)17-5-3-16(24)4-6-17/h3-12,21H,13-14H2,1-2H3;3-11,14,21H,12-13H2,1-2H3;5-14H,4,15H2,1-3H3;2-11,20H,12-13H2,1H3/i2*2D3;3D3
• InChIKey: IAMVZVJZLZIWAJ-RQZHAJSKSA-N
• XLogP: 20.11
• TPSA: 281.65 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.78
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164999469) is 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one is Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc(Br)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4ncn(C)c4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC)nc32)cc1.

What is the InChIKey of 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is IAMVZVJZLZIWAJ-RQZHAJSKSA-N. The full InChI is InChI=1S/2C24H21F2N5O3.C24H23N5O3.C23H18BrF2N5O2/c1-29-12-16-11-18(6-9-20(16)28-29)30-13-15-3-10-22(34-14-21(25)26)27-23(15)31(24(30)32)17-4-7-19(33-2)8-5-17;1-29-14-27-19-9-6-17(11-20(19)29)30-12-15-3-10-22(34-13-21(25)26)28-23(15)31(24(30)32)16-4-7-18(33-2)8-5-16;1-4-32-22-12-5-16-15-28(19-8-11-21-17(13-19)14-27(2)26-21)24(30)29(23(16)25-22)18-6-9-20(31-3)10-7-18;1-29-11-15-10-18(7-8-19(15)28-29)30-12-14-2-9-21(33-13-20(25)26)27-22(14)31(23(30)32)17-5-3-16(24)4-6-17/h3-12,21H,13-14H2,1-2H3;3-11,14,21H,12-13H2,1-2H3;5-14H,4,15H2,1-3H3;2-11,20H,12-13H2,1H3/i2*2D3;3D3;.

What are the key properties of 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one?

1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1883.78 g/mol, XLogP of 20.11, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164999469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).