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

C21H18BrN5 — CID 24931189

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

7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931189) has the molecular formula C21H18BrN5 and a molecular weight of 420.31 g/mol. Its IUPAC name is 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931189
• Molecular Formula: C21H18BrN5
• Molecular Weight: 420.31 g/mol
• Exact Mass: 419.07
• IUPAC Name: 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Brc1ccc2c(CN3CCc4cnc(-c5cccnc5)nc4C3)c[nH]c2c1
• InChI: InChI=1S/C21H18BrN5/c22-17-3-4-18-16(11-24-19(18)8-17)12-27-7-5-14-10-25-21(26-20(14)13-27)15-2-1-6-23-9-15/h1-4,6,8-11,24H,5,7,12-13H2
• InChIKey: JHXKIUPAEVNXAB-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.31
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931189) is 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Brc1ccc2c(CN3CCc4cnc(-c5cccnc5)nc4C3)c[nH]c2c1.

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

The InChIKey is JHXKIUPAEVNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5/c22-17-3-4-18-16(11-24-19(18)8-17)12-27-7-5-14-10-25-21(26-20(14)13-27)15-2-1-6-23-9-15/h1-4,6,8-11,24H,5,7,12-13H2.

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

7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 420.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).