1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone

C26H27N5O — CID 86894685

About 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone (PubChem CID 86894685) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone.

Molecular Properties

• Compound Name: 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone
• PubChem CID: 86894685
• Molecular Formula: C26H27N5O
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.22
• IUPAC Name: 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone
• SMILES: CN(CC1CCCN1c1cccnn1)C(C(=O)c1c[nH]c2ccccc12)c1ccccc1
• InChI: InChI=1S/C26H27N5O/c1-30(18-20-11-8-16-31(20)24-14-7-15-28-29-24)25(19-9-3-2-4-10-19)26(32)22-17-27-23-13-6-5-12-21(22)23/h2-7,9-10,12-15,17,20,25,27H,8,11,16,18H2,1H3
• InChIKey: LJXLMQGQYSRJHT-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone?

The IUPAC name of 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone (CID 86894685) is 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone.

What is the SMILES notation for 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone?

The canonical SMILES for 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone is CN(CC1CCCN1c1cccnn1)C(C(=O)c1c[nH]c2ccccc12)c1ccccc1.

What is the InChIKey of 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone?

The InChIKey is LJXLMQGQYSRJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-30(18-20-11-8-16-31(20)24-14-7-15-28-29-24)25(19-9-3-2-4-10-19)26(32)22-17-27-23-13-6-5-12-21(22)23/h2-7,9-10,12-15,17,20,25,27H,8,11,16,18H2,1H3.

What are the key properties of 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone?

1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone has a molecular weight of 425.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-2-phenylethanone is sourced from PubChem (CID 86894685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).