6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H21F3N4O — CID 24910065

About 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910065) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910065
• Molecular Formula: C24H21F3N4O
• Molecular Weight: 438.45 g/mol
• Exact Mass: 438.17
• IUPAC Name: 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: FC(F)(F)c1ncc2c(n1)CCN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)C2
• InChI: InChI=1S/C24H21F3N4O/c25-24(26,27)23-29-11-17-13-31(10-9-19(17)30-23)14-18-12-28-20-7-4-8-21(22(18)20)32-15-16-5-2-1-3-6-16/h1-8,11-12,28H,9-10,13-15H2
• InChIKey: RUZVVWCYMUQBFE-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910065) is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CCN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)C2.

What is the InChIKey of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is RUZVVWCYMUQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-24(26,27)23-29-11-17-13-31(10-9-19(17)30-23)14-18-12-28-20-7-4-8-21(22(18)20)32-15-16-5-2-1-3-6-16/h1-8,11-12,28H,9-10,13-15H2.

What are the key properties of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 438.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).