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

C25H24N4O3S — CID 91617398

IUPACN-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
SMILESO=C(CCCCOc1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1)NO
InChIInChI=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)
InChIKeyJXBAKDKHRFOCGE-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.33
Rot. Bonds10

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 NameN-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
PubChem CID91617398
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
SMILESO=C(CCCCOc1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1)NO
InChIInChI=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)
InChIKeyJXBAKDKHRFOCGE-UHFFFAOYSA-N
XLogP5.33
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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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).