4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole

C15H17FN2O — CID 163261780

IUPAC4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
SMILESC=Cc1c(C)cc(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C15H17FN2O/c1-3-11-10(2)8-13(16)15-12(11)9-17-18(15)14-6-4-5-7-19-14/h3,8-9,14H,1,4-7H2,2H3
InChIKeyLPSJGDWODXDWCD-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.83
Rot. Bonds2

About 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole

4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole (PubChem CID 163261780) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
PubChem CID163261780
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
SMILESC=Cc1c(C)cc(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C15H17FN2O/c1-3-11-10(2)8-13(16)15-12(11)9-17-18(15)14-6-4-5-7-19-14/h3,8-9,14H,1,4-7H2,2H3
InChIKeyLPSJGDWODXDWCD-UHFFFAOYSA-N
XLogP3.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
CID 171067202
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
(4-ethenyl-6-fluoro-1H-indol-5-yl)-[3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]phenyl]methanone
CID 171077566
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891
CID 148973784
CID 148973784
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
tert-butyl-[[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]methylideneamino]-oxidosulfanium
CID 175636855
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 169212239
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid
CID 167350869
4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole (CID 163261780) is 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole is C=Cc1c(C)cc(F)c2c1cnn2C1CCCCO1.
What is the InChIKey of 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole?
The InChIKey is LPSJGDWODXDWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-11-10(2)8-13(16)15-12(11)9-17-18(15)14-6-4-5-7-19-14/h3,8-9,14H,1,4-7H2,2H3.
What are the key properties of 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole?
4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole has a molecular weight of 260.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 163261780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).