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

C17H17BrN4 — CID 24931180

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

7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931180) has the molecular formula C17H17BrN4 and a molecular weight of 357.25 g/mol. Its IUPAC name is 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931180
• Molecular Formula: C17H17BrN4
• Molecular Weight: 357.25 g/mol
• Exact Mass: 356.06
• IUPAC Name: 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1ncc2c(n1)CN(Cc1c[nH]c3cc(Br)ccc13)CC2
• InChI: InChI=1S/C17H17BrN4/c1-11-19-7-12-4-5-22(10-17(12)21-11)9-13-8-20-16-6-14(18)2-3-15(13)16/h2-3,6-8,20H,4-5,9-10H2,1H3
• InChIKey: WWZRLFOCLSGJCF-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.25
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931180) is 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ncc2c(n1)CN(Cc1c[nH]c3cc(Br)ccc13)CC2.

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

The InChIKey is WWZRLFOCLSGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c1-11-19-7-12-4-5-22(10-17(12)21-11)9-13-8-20-16-6-14(18)2-3-15(13)16/h2-3,6-8,20H,4-5,9-10H2,1H3.

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

7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 357.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).