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

C24H24N4 — CID 24931103

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

7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931103) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931103
• Molecular Formula: C24H24N4
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.20
• IUPAC Name: 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1ccc(-c2ncc3c(n2)CN(Cc2c[nH]c4ccc(C)cc24)CC3)cc1
• InChI: InChI=1S/C24H24N4/c1-16-3-6-18(7-4-16)24-26-12-19-9-10-28(15-23(19)27-24)14-20-13-25-22-8-5-17(2)11-21(20)22/h3-8,11-13,25H,9-10,14-15H2,1-2H3
• InChIKey: JMWQIXVDNLZLIR-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931103) is 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccc(-c2ncc3c(n2)CN(Cc2c[nH]c4ccc(C)cc24)CC3)cc1.

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

The InChIKey is JMWQIXVDNLZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-16-3-6-18(7-4-16)24-26-12-19-9-10-28(15-23(19)27-24)14-20-13-25-22-8-5-17(2)11-21(20)22/h3-8,11-13,25H,9-10,14-15H2,1-2H3.

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

7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 368.48 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).