4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole

C13H9F3N4O — CID 178072806

IUPAC4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
SMILESFc1ccc(-c2cnc(OCC(F)F)cn2)c2cn[nH]c12
InChIInChI=1S/C13H9F3N4O/c14-9-2-1-7(8-3-19-20-13(8)9)10-4-18-12(5-17-10)21-6-11(15)16/h1-5,11H,6H2,(H,19,20)
InChIKeyABKXOAOWHNTLJD-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.80
Rot. Bonds4

About 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole

4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole (PubChem CID 178072806) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole.

Molecular Properties

Compound Name4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
PubChem CID178072806
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
SMILESFc1ccc(-c2cnc(OCC(F)F)cn2)c2cn[nH]c12
InChIInChI=1S/C13H9F3N4O/c14-9-2-1-7(8-3-19-20-13(8)9)10-4-18-12(5-17-10)21-6-11(15)16/h1-5,11H,6H2,(H,19,20)
InChIKeyABKXOAOWHNTLJD-UHFFFAOYSA-N
XLogP2.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?
The IUPAC name of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole (CID 178072806) is 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole.
What is the SMILES notation for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?
The canonical SMILES for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole is Fc1ccc(-c2cnc(OCC(F)F)cn2)c2cn[nH]c12.
What is the InChIKey of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?
The InChIKey is ABKXOAOWHNTLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-9-2-1-7(8-3-19-20-13(8)9)10-4-18-12(5-17-10)21-6-11(15)16/h1-5,11H,6H2,(H,19,20).
What are the key properties of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?
4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole has a molecular weight of 294.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole is sourced from PubChem (CID 178072806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).