7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole

C12H7ClF2N4O — CID 178073465

IUPAC7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole
SMILESFC(F)Oc1cnc(-c2ccc(Cl)c3[nH]ncc23)cn1
InChIInChI=1S/C12H7ClF2N4O/c13-8-2-1-6(7-3-18-19-11(7)8)9-4-17-10(5-16-9)20-12(14)15/h1-5,12H,(H,18,19)
InChIKeyGYXJUWPXIIPSPA-UHFFFAOYSA-N
MW296.66 g/mol
LogP3.27
Rot. Bonds3

About 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole

7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole (PubChem CID 178073465) has the molecular formula C12H7ClF2N4O and a molecular weight of 296.66 g/mol. Its IUPAC name is 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole
PubChem CID178073465
Molecular FormulaC12H7ClF2N4O
Molecular Weight296.66 g/mol
Exact Mass296.03
IUPAC Name7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole
SMILESFC(F)Oc1cnc(-c2ccc(Cl)c3[nH]ncc23)cn1
InChIInChI=1S/C12H7ClF2N4O/c13-8-2-1-6(7-3-18-19-11(7)8)9-4-17-10(5-16-9)20-12(14)15/h1-5,12H,(H,18,19)
InChIKeyGYXJUWPXIIPSPA-UHFFFAOYSA-N
XLogP3.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.66
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
CID 178073356
6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol
CID 178073095
4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
CID 178072806
4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazole-2-thione
CID 178073534
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
CID 178072913
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole
CID 178073123
4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
CID 178073300
2-(2,4-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 170837762
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134569
4-chloro-7-[6-chloro-5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
CID 178072836

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole?
The IUPAC name of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole (CID 178073465) is 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole?
The canonical SMILES for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole is FC(F)Oc1cnc(-c2ccc(Cl)c3[nH]ncc23)cn1.
What is the InChIKey of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole?
The InChIKey is GYXJUWPXIIPSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4O/c13-8-2-1-6(7-3-18-19-11(7)8)9-4-17-10(5-16-9)20-12(14)15/h1-5,12H,(H,18,19).
What are the key properties of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole?
7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole has a molecular weight of 296.66 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole is sourced from PubChem (CID 178073465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).