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

C24H20F2N4O2 — CID 57431524

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

5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide (PubChem CID 57431524) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
• PubChem CID: 57431524
• Molecular Formula: C24H20F2N4O2
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
• SMILES: O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
• InChI: InChI=1S/C24H20F2N4O2/c25-17-3-1-2-15(8-17)12-30-21-6-4-18(26)9-16(21)10-22(30)24(32)28-19-5-7-23(27-11-19)29-13-20(31)14-29/h1-11,20,31H,12-14H2,(H,28,32)
• InChIKey: IPVFCUXZVPCLBB-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide (CID 57431524) is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide.

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

The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide is O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1.

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

The InChIKey is IPVFCUXZVPCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-17-3-1-2-15(8-17)12-30-21-6-4-18(26)9-16(21)10-22(30)24(32)28-19-5-7-23(27-11-19)29-13-20(31)14-29/h1-11,20,31H,12-14H2,(H,28,32).

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

5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 57431524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).