5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

C24H23FN4 — CID 66965265

About 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66965265) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

• Compound Name: 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
• PubChem CID: 66965265
• Molecular Formula: C24H23FN4
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.19
• IUPAC Name: 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
• SMILES: Cc1ccc(-c2ccc3c(c2)CN(C)CCC3c2ccc3[nH]cc(F)c3c2)nn1
• InChI: InChI=1S/C24H23FN4/c1-15-3-7-23(28-27-15)17-4-6-19-18(11-17)14-29(2)10-9-20(19)16-5-8-24-21(12-16)22(25)13-26-24/h3-8,11-13,20,26H,9-10,14H2,1-2H3
• InChIKey: MGKASYIRXGZIAR-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The IUPAC name of 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 66965265) is 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

What is the SMILES notation for 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The canonical SMILES for 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is Cc1ccc(-c2ccc3c(c2)CN(C)CCC3c2ccc3[nH]cc(F)c3c2)nn1.

What is the InChIKey of 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The InChIKey is MGKASYIRXGZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-15-3-7-23(28-27-15)17-4-6-19-18(11-17)14-29(2)10-9-20(19)16-5-8-24-21(12-16)22(25)13-26-24/h3-8,11-13,20,26H,9-10,14H2,1-2H3.

What are the key properties of 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 386.47 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-1H-indol-5-yl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).