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

C18H17F3N4O — CID 135861674

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

6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861674) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861674
• Molecular Formula: C18H17F3N4O
• Molecular Weight: 362.36 g/mol
• Exact Mass: 362.14
• IUPAC Name: 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1cccc2c(CN3CCc4nc(C(F)(F)F)[nH]c(=O)c4C3)c[nH]c12
• InChI: InChI=1S/C18H17F3N4O/c1-10-3-2-4-12-11(7-22-15(10)12)8-25-6-5-14-13(9-25)16(26)24-17(23-14)18(19,20)21/h2-4,7,22H,5-6,8-9H2,1H3,(H,23,24,26)
• InChIKey: PACXVXDETQKAGR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 64.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.36
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861674) is 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cccc2c(CN3CCc4nc(C(F)(F)F)[nH]c(=O)c4C3)c[nH]c12.

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

The InChIKey is PACXVXDETQKAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10-3-2-4-12-11(7-22-15(10)12)8-25-6-5-14-13(9-25)16(26)24-17(23-14)18(19,20)21/h2-4,7,22H,5-6,8-9H2,1H3,(H,23,24,26).

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

6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 362.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(7-methyl-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).