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

C19H17F3N4O — CID 24909267

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

1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (PubChem CID 24909267) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
• PubChem CID: 24909267
• Molecular Formula: C19H17F3N4O
• Molecular Weight: 374.37 g/mol
• Exact Mass: 374.14
• IUPAC Name: 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
• SMILES: CC(=O)n1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)c2ccccc21
• InChI: InChI=1S/C19H17F3N4O/c1-12(27)26-11-14(15-4-2-3-5-17(15)26)10-25-7-6-16-13(9-25)8-23-18(24-16)19(20,21)22/h2-5,8,11H,6-7,9-10H2,1H3
• InChIKey: FUBKUGQYCLZHED-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.37
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (CID 24909267) is 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.

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

The canonical SMILES for 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is CC(=O)n1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)c2ccccc21.

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

The InChIKey is FUBKUGQYCLZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12(27)26-11-14(15-4-2-3-5-17(15)26)10-25-7-6-16-13(9-25)8-23-18(24-16)19(20,21)22/h2-5,8,11H,6-7,9-10H2,1H3.

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

1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone has a molecular weight of 374.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 24909267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).