7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole

C19H11F5N4 — CID 134611927

IUPAC7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
SMILESFc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2c(F)cccc12
InChIInChI=1S/C19H11F5N4/c20-15-5-4-11(19(22,23)24)8-14(15)17-13-2-1-3-16(21)18(13)28(27-17)10-12-9-25-6-7-26-12/h1-9H,10H2
InChIKeySVLWNPOVDSWOPK-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.84
Rot. Bonds3

About 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole

7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole (PubChem CID 134611927) has the molecular formula C19H11F5N4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole.

Molecular Properties

Compound Name7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
PubChem CID134611927
Molecular FormulaC19H11F5N4
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
SMILESFc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2c(F)cccc12
InChIInChI=1S/C19H11F5N4/c20-15-5-4-11(19(22,23)24)8-14(15)17-13-2-1-3-16(21)18(13)28(27-17)10-12-9-25-6-7-26-12/h1-9H,10H2
InChIKeySVLWNPOVDSWOPK-UHFFFAOYSA-N
XLogP4.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole?
The IUPAC name of 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole (CID 134611927) is 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole.
What is the SMILES notation for 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole?
The canonical SMILES for 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole is Fc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole?
The InChIKey is SVLWNPOVDSWOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4/c20-15-5-4-11(19(22,23)24)8-14(15)17-13-2-1-3-16(21)18(13)28(27-17)10-12-9-25-6-7-26-12/h1-9H,10H2.
What are the key properties of 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole?
7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole has a molecular weight of 390.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole is sourced from PubChem (CID 134611927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).