5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one

C24H18F4N2O2 — CID 146689953

About 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one

5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one (PubChem CID 146689953) has the molecular formula C24H18F4N2O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one
• PubChem CID: 146689953
• Molecular Formula: C24H18F4N2O2
• Molecular Weight: 442.41 g/mol
• Exact Mass: 442.13
• IUPAC Name: 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one
• SMILES: O=C(Cc1ccc2c(c1)CC(=O)N2)C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F
• InChI: InChI=1S/C24H18F4N2O2/c25-20-2-1-9-29-23(20)19(15-4-6-17(7-5-15)24(26,27)28)13-18(31)11-14-3-8-21-16(10-14)12-22(32)30-21/h1-10,19H,11-13H2,(H,30,32)/t19-/m0/s1
• InChIKey: QFPIKQBOFZVUSD-IBGZPJMESA-N
• XLogP: 5.07
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.41
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one (CID 146689953) is 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one is O=C(Cc1ccc2c(c1)CC(=O)N2)C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F.

What is the InChIKey of 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one?

The InChIKey is QFPIKQBOFZVUSD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H18F4N2O2/c25-20-2-1-9-29-23(20)19(15-4-6-17(7-5-15)24(26,27)28)13-18(31)11-14-3-8-21-16(10-14)12-22(32)30-21/h1-10,19H,11-13H2,(H,30,32)/t19-/m0/s1.

What are the key properties of 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one?

5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one has a molecular weight of 442.41 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 146689953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).