3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C25H24FN3O2S — CID 110089095

About 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 110089095) has the molecular formula C25H24FN3O2S and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• PubChem CID: 110089095
• Molecular Formula: C25H24FN3O2S
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.16
• IUPAC Name: 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• SMILES: CC(C)NC(=O)c1sc2ccccc2c1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1
• InChI: InChI=1S/C25H24FN3O2S/c1-14(2)27-24(30)23-22(18-5-3-4-6-21(18)32-23)15-9-10-29(13-15)25(31)20-12-16-11-17(26)7-8-19(16)28-20/h3-8,11-12,14-15,28H,9-10,13H2,1-2H3,(H,27,30)
• InChIKey: QJKQVBURSJEWEB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 110089095) is 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CC(C)NC(=O)c1sc2ccccc2c1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1.

What is the InChIKey of 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The InChIKey is QJKQVBURSJEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2S/c1-14(2)27-24(30)23-22(18-5-3-4-6-21(18)32-23)15-9-10-29(13-15)25(31)20-12-16-11-17(26)7-8-19(16)28-20/h3-8,11-12,14-15,28H,9-10,13H2,1-2H3,(H,27,30).

What are the key properties of 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110089095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).