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

C24H21F3N4 — CID 24930630

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

7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930630) has the molecular formula C24H21F3N4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24930630
• Molecular Formula: C24H21F3N4
• Molecular Weight: 422.45 g/mol
• Exact Mass: 422.17
• IUPAC Name: 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cn1cc(CN2CCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C2)c2ccccc21
• InChI: InChI=1S/C24H21F3N4/c1-30-13-18(20-4-2-3-5-22(20)30)14-31-11-10-17-12-28-23(29-21(17)15-31)16-6-8-19(9-7-16)24(25,26)27/h2-9,12-13H,10-11,14-15H2,1H3
• InChIKey: TWPGOEHEXMHGIR-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.45
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930630) is 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cn1cc(CN2CCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C2)c2ccccc21.

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

The InChIKey is TWPGOEHEXMHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4/c1-30-13-18(20-4-2-3-5-22(20)30)14-31-11-10-17-12-28-23(29-21(17)15-31)16-6-8-19(9-7-16)24(25,26)27/h2-9,12-13H,10-11,14-15H2,1H3.

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

7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 422.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).