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

C25H23F3N4O2 — CID 135943096

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

6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943096) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943096
• Molecular Formula: C25H23F3N4O2
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.18
• IUPAC Name: 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc2c(c1)c(CN1CCc3nc(-c4ccc(C(F)(F)F)cc4)[nH]c(=O)c3C1)cn2C
• InChI: InChI=1S/C25H23F3N4O2/c1-31-12-16(19-11-18(34-2)7-8-22(19)31)13-32-10-9-21-20(14-32)24(33)30-23(29-21)15-3-5-17(6-4-15)25(26,27)28/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,29,30,33)
• InChIKey: SYYZCMJZHZLCER-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 63.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943096) is 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc2c(c1)c(CN1CCc3nc(-c4ccc(C(F)(F)F)cc4)[nH]c(=O)c3C1)cn2C.

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

The InChIKey is SYYZCMJZHZLCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-31-12-16(19-11-18(34-2)7-8-22(19)31)13-32-10-9-21-20(14-32)24(33)30-23(29-21)15-3-5-17(6-4-15)25(26,27)28/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,29,30,33).

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

6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 468.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).