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

C19H21BrN4 — CID 24931013

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

7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931013) has the molecular formula C19H21BrN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931013
• Molecular Formula: C19H21BrN4
• Molecular Weight: 385.31 g/mol
• Exact Mass: 384.09
• IUPAC Name: 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CN(Cc1c[nH]c3ccc(Br)cc13)CC2
• InChI: InChI=1S/C19H21BrN4/c1-12(2)19-22-8-13-5-6-24(11-18(13)23-19)10-14-9-21-17-4-3-15(20)7-16(14)17/h3-4,7-9,12,21H,5-6,10-11H2,1-2H3
• InChIKey: UZJWZCHZSLKJEG-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.31
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931013) is 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1ncc2c(n1)CN(Cc1c[nH]c3ccc(Br)cc13)CC2.

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

The InChIKey is UZJWZCHZSLKJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4/c1-12(2)19-22-8-13-5-6-24(11-18(13)23-19)10-14-9-21-17-4-3-15(20)7-16(14)17/h3-4,7-9,12,21H,5-6,10-11H2,1-2H3.

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

7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 385.31 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).