5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

C26H24F2N4O2 — CID 57431495

About 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (PubChem CID 57431495) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
• PubChem CID: 57431495
• Molecular Formula: C26H24F2N4O2
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.19
• IUPAC Name: 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
• SMILES: COc1cc(N2CCCC2)ncc1NC(=O)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
• InChI: InChI=1S/C26H24F2N4O2/c1-34-24-14-25(31-9-2-3-10-31)29-15-21(24)30-26(33)23-13-18-12-20(28)7-8-22(18)32(23)16-17-5-4-6-19(27)11-17/h4-8,11-15H,2-3,9-10,16H2,1H3,(H,30,33)
• InChIKey: KAMPUWZAGXOKOZ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?

The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (CID 57431495) is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.

What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?

The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is COc1cc(N2CCCC2)ncc1NC(=O)c1cc2cc(F)ccc2n1Cc1cccc(F)c1.

What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?

The InChIKey is KAMPUWZAGXOKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-34-24-14-25(31-9-2-3-10-31)29-15-21(24)30-26(33)23-13-18-12-20(28)7-8-22(18)32(23)16-17-5-4-6-19(27)11-17/h4-8,11-15H,2-3,9-10,16H2,1H3,(H,30,33).

What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?

5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 57431495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).