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

C23H18F4N4 — CID 24909157

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

6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909157) has the molecular formula C23H18F4N4 and a molecular weight of 426.42 g/mol. Its IUPAC name is 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24909157
• Molecular Formula: C23H18F4N4
• Molecular Weight: 426.42 g/mol
• Exact Mass: 426.15
• IUPAC Name: 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Fc1ccc2[nH]cc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)c2c1
• InChI: InChI=1S/C23H18F4N4/c24-18-5-6-21-19(9-18)15(10-28-21)12-31-8-7-20-16(13-31)11-29-22(30-20)14-1-3-17(4-2-14)23(25,26)27/h1-6,9-11,28H,7-8,12-13H2
• InChIKey: SUXRJYNIIRGPMH-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.42
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909157) is 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc2[nH]cc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)c2c1.

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

The InChIKey is SUXRJYNIIRGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4/c24-18-5-6-21-19(9-18)15(10-28-21)12-31-8-7-20-16(13-31)11-29-22(30-20)14-1-3-17(4-2-14)23(25,26)27/h1-6,9-11,28H,7-8,12-13H2.

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

6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 426.42 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).