N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide

C25H24N4O3S — CID 91617398

About N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide

N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide (PubChem CID 91617398) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide.

Molecular Properties

• Compound Name: N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
• PubChem CID: 91617398
• Molecular Formula: C25H24N4O3S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
• SMILES: O=C(CCCCOc1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1)NO
• InChI: InChI=1S/C25H24N4O3S/c30-25(29-31)10-4-6-16-32-23-8-1-2-9-24(23)33-19-12-13-20-21(27-28-22(20)17-19)14-11-18-7-3-5-15-26-18/h1-3,5,7-9,11-15,17,31H,4,6,10,16H2,(H,27,28)(H,29,30)
• InChIKey: JXBAKDKHRFOCGE-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 100.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide?

The IUPAC name of N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide (CID 91617398) is N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide.

What is the SMILES notation for N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide?

The canonical SMILES for N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide is O=C(CCCCOc1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1)NO.

What is the InChIKey of N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide?

The InChIKey is JXBAKDKHRFOCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25(29-31)10-4-6-16-32-23-8-1-2-9-24(23)33-19-12-13-20-21(27-28-22(20)17-19)14-11-18-7-3-5-15-26-18/h1-3,5,7-9,11-15,17,31H,4,6,10,16H2,(H,27,28)(H,29,30).

What are the key properties of N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide?

N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide has a molecular weight of 460.56 g/mol, XLogP of 5.33, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide is sourced from PubChem (CID 91617398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).