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

C17H14F4N4 — CID 24931057

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

7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931057) has the molecular formula C17H14F4N4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931057
• Molecular Formula: C17H14F4N4
• Molecular Weight: 350.32 g/mol
• Exact Mass: 350.12
• IUPAC Name: 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Fc1ccc2[nH]cc(CN3CCc4cnc(C(F)(F)F)nc4C3)c2c1
• InChI: InChI=1S/C17H14F4N4/c18-12-1-2-14-13(5-12)11(7-22-14)8-25-4-3-10-6-23-16(17(19,20)21)24-15(10)9-25/h1-2,5-7,22H,3-4,8-9H2
• InChIKey: PMLDAZIIHFAEGE-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.32
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931057) is 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Fc1ccc2[nH]cc(CN3CCc4cnc(C(F)(F)F)nc4C3)c2c1.

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

The InChIKey is PMLDAZIIHFAEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4/c18-12-1-2-14-13(5-12)11(7-22-14)8-25-4-3-10-6-23-16(17(19,20)21)24-15(10)9-25/h1-2,5-7,22H,3-4,8-9H2.

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

7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 350.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).