N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide

C19H17F2N3O2 — CID 68932567

IUPACN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C19H17F2N3O2/c1-11(25)8-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)7-4-12-2-5-13(20)6-3-12/h2-7,9-11,25H,8H2,1H3,(H,22,26)(H,23,24)
InChIKeyQRPQJFJZSIWYQT-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.72
Rot. Bonds5

About N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide (PubChem CID 68932567) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide
PubChem CID68932567
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C19H17F2N3O2/c1-11(25)8-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)7-4-12-2-5-13(20)6-3-12/h2-7,9-11,25H,8H2,1H3,(H,22,26)(H,23,24)
InChIKeyQRPQJFJZSIWYQT-UHFFFAOYSA-N
XLogP3.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide?
The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide (CID 68932567) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide?
The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide is CC(O)CC(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F.
What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide?
The InChIKey is QRPQJFJZSIWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(25)8-19(26)22-18-9-14-16(23-24-17(14)10-15(18)21)7-4-12-2-5-13(20)6-3-12/h2-7,9-11,25H,8H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide?
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide has a molecular weight of 357.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide is sourced from PubChem (CID 68932567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).