6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H19F4N3O — CID 24929443

About 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929443) has the molecular formula C22H19F4N3O and a molecular weight of 417.41 g/mol. Its IUPAC name is 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24929443
• Molecular Formula: C22H19F4N3O
• Molecular Weight: 417.41 g/mol
• Exact Mass: 417.15
• IUPAC Name: 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1cccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c1F
• InChI: InChI=1S/C22H19F4N3O/c1-30-19-4-2-3-15(20(19)23)12-29-10-9-18-16(13-29)11-27-21(28-18)14-5-7-17(8-6-14)22(24,25)26/h2-8,11H,9-10,12-13H2,1H3
• InChIKey: LSJIZHDOUWEPCI-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.41
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929443) is 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c1F.

What is the InChIKey of 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is LSJIZHDOUWEPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O/c1-30-19-4-2-3-15(20(19)23)12-29-10-9-18-16(13-29)11-27-21(28-18)14-5-7-17(8-6-14)22(24,25)26/h2-8,11H,9-10,12-13H2,1H3.

What are the key properties of 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 417.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).