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

C23H18F3N3S2 — CID 24915688

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

2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915688) has the molecular formula C23H18F3N3S2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915688
• Molecular Formula: C23H18F3N3S2
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.09
• IUPAC Name: 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: FC(F)(F)c1cccc(-c2ccc(CN3CCc4nc(-c5cccs5)ncc4C3)s2)c1
• InChI: InChI=1S/C23H18F3N3S2/c24-23(25,26)17-4-1-3-15(11-17)20-7-6-18(31-20)14-29-9-8-19-16(13-29)12-27-22(28-19)21-5-2-10-30-21/h1-7,10-12H,8-9,13-14H2
• InChIKey: IDHPQOSSMKZDKZ-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 29.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915688) is 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1cccc(-c2ccc(CN3CCc4nc(-c5cccs5)ncc4C3)s2)c1.

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

The InChIKey is IDHPQOSSMKZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3S2/c24-23(25,26)17-4-1-3-15(11-17)20-7-6-18(31-20)14-29-9-8-19-16(13-29)12-27-22(28-19)21-5-2-10-30-21/h1-7,10-12H,8-9,13-14H2.

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

2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 457.55 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).