5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

C17H11FN4O — CID 25195330

IUPAC5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCCc1[nH]nc2ccc(F)c(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
InChIKeySXPOHHRAMKMEHU-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.80
Rot. Bonds3

About 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (PubChem CID 25195330) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
PubChem CID25195330
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCCc1[nH]nc2ccc(F)c(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
InChIKeySXPOHHRAMKMEHU-UHFFFAOYSA-N
XLogP3.80
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
5-[(5-chloro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218426
5-[[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218428
Mps1 Inhibitor I
CID 73345836
5-[[3-(methoxymethyl)-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218425
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
4-[6-(trifluoromethoxy)-1H-indazol-3-yl]benzonitrile
CID 137661020
3-(4-methoxyphenyl)-1H-indazole
CID 9855970
3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]aniline
CID 21877575
3-(E-styryl)-6-phenoxy-1H-indazole
CID 21877604

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (CID 25195330) is 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is CCc1[nH]nc2ccc(F)c(Oc3cc(C#N)cc(C#N)c3)c12.
What is the InChIKey of 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The InChIKey is SXPOHHRAMKMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22).
What are the key properties of 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile has a molecular weight of 306.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-5-fluoro-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 25195330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).