N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine

C24H24F3N3 — CID 154961746

About N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine

N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine (PubChem CID 154961746) has the molecular formula C24H24F3N3 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine.

Molecular Properties

• Compound Name: N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine
• PubChem CID: 154961746
• Molecular Formula: C24H24F3N3
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.19
• IUPAC Name: N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine
• SMILES: C=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1CC(C)NC1=C
• InChI: InChI=1S/C24H24F3N3/c1-13(29-22-10-14(2)28-15(22)3)4-9-19-20-11-18(26)12-21(27)24(20)30-23(19)16-5-7-17(25)8-6-16/h5-8,11-12,14,22,28-30H,1,3-4,9-10H2,2H3
• InChIKey: XHMMUFANTYHJLQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 39.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine?

The IUPAC name of N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine (CID 154961746) is N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine.

What is the SMILES notation for N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine?

The canonical SMILES for N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine is C=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1CC(C)NC1=C.

What is the InChIKey of N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine?

The InChIKey is XHMMUFANTYHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3/c1-13(29-22-10-14(2)28-15(22)3)4-9-19-20-11-18(26)12-21(27)24(20)30-23(19)16-5-7-17(25)8-6-16/h5-8,11-12,14,22,28-30H,1,3-4,9-10H2,2H3.

What are the key properties of N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine?

N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine has a molecular weight of 411.47 g/mol, XLogP of 5.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-yl]-5-methyl-2-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 154961746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).