7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one

C25H23F2N5O3 — CID 172723285

About 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one (PubChem CID 172723285) has the molecular formula C25H23F2N5O3 and a molecular weight of 482.51 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one
• PubChem CID: 172723285
• Molecular Formula: C25H23F2N5O3
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.20
• IUPAC Name: 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one
• SMILES: [2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)c(C)c4c3)Cc3ncc(OCC(F)F)cc32)cc1
• InChI: InChI=1S/C25H23F2N5O3/c1-15-20-10-17(6-9-21(20)29-30(15)2)31-13-22-23(11-19(12-28-22)35-14-24(26)27)32(25(31)33)16-4-7-18(34-3)8-5-16/h4-12,24H,13-14H2,1-3H3/i3D3
• InChIKey: GUPJYASYYGOIJU-HPRDVNIFSA-N
• XLogP: 5.21
• TPSA: 72.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one (CID 172723285) is 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one.

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

The canonical SMILES for 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one is [2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)c(C)c4c3)Cc3ncc(OCC(F)F)cc32)cc1.

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

The InChIKey is GUPJYASYYGOIJU-HPRDVNIFSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-15-20-10-17(6-9-21(20)29-30(15)2)31-13-22-23(11-19(12-28-22)35-14-24(26)27)32(25(31)33)16-4-7-18(34-3)8-5-16/h4-12,24H,13-14H2,1-3H3/i3D3.

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

7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 482.51 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 172723285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).