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

C26H28N4 — CID 24930593

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

7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930593) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24930593
• Molecular Formula: C26H28N4
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.23
• IUPAC Name: 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CN(Cc1cn(Cc3ccccc3)c3ccccc13)CC2
• InChI: InChI=1S/C26H28N4/c1-19(2)26-27-14-21-12-13-29(18-24(21)28-26)16-22-17-30(15-20-8-4-3-5-9-20)25-11-7-6-10-23(22)25/h3-11,14,17,19H,12-13,15-16,18H2,1-2H3
• InChIKey: HCBQBYJZWJGKDF-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930593) is 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

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

The canonical SMILES for 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1ncc2c(n1)CN(Cc1cn(Cc3ccccc3)c3ccccc13)CC2.

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

The InChIKey is HCBQBYJZWJGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-19(2)26-27-14-21-12-13-29(18-24(21)28-26)16-22-17-30(15-20-8-4-3-5-9-20)25-11-7-6-10-23(22)25/h3-11,14,17,19H,12-13,15-16,18H2,1-2H3.

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

7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 396.54 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).