[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C29H33FN4O — CID 77421286

About [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 77421286) has the molecular formula C29H33FN4O and a molecular weight of 472.61 g/mol. Its IUPAC name is [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• PubChem CID: 77421286
• Molecular Formula: C29H33FN4O
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.26
• IUPAC Name: [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
• SMILES: Cc1ccc2cc(C(=O)N3CCCC3CCN3CCC(n4ccc5ccc(F)cc54)CC3)[nH]c2c1
• InChI: InChI=1S/C29H33FN4O/c1-20-4-5-22-18-27(31-26(22)17-20)29(35)34-12-2-3-24(34)9-13-32-14-10-25(11-15-32)33-16-8-21-6-7-23(30)19-28(21)33/h4-8,16-19,24-25,31H,2-3,9-15H2,1H3
• InChIKey: WMPZFPLOINOLTD-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 44.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The IUPAC name of [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 77421286) is [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

What is the SMILES notation for [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The canonical SMILES for [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCCC3CCN3CCC(n4ccc5ccc(F)cc54)CC3)[nH]c2c1.

What is the InChIKey of [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

The InChIKey is WMPZFPLOINOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O/c1-20-4-5-22-18-27(31-26(22)17-20)29(35)34-12-2-3-24(34)9-13-32-14-10-25(11-15-32)33-16-8-21-6-7-23(30)19-28(21)33/h4-8,16-19,24-25,31H,2-3,9-15H2,1H3.

What are the key properties of [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?

[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 472.61 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 77421286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).