5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole

C20H15F3N4O2 — CID 175809954

IUPAC5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
SMILESCOc1cc(F)cc(-c2cnc(Cn3ncc4cc(OC(F)F)ccc43)cn2)c1
InChIInChI=1S/C20H15F3N4O2/c1-28-17-5-12(4-14(21)7-17)18-10-24-15(9-25-18)11-27-19-3-2-16(29-20(22)23)6-13(19)8-26-27/h2-10,20H,11H2,1H3
InChIKeyKBFFVQZBNUCHEK-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.29
Rot. Bonds6

About 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole

5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole (PubChem CID 175809954) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
PubChem CID175809954
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
SMILESCOc1cc(F)cc(-c2cnc(Cn3ncc4cc(OC(F)F)ccc43)cn2)c1
InChIInChI=1S/C20H15F3N4O2/c1-28-17-5-12(4-14(21)7-17)18-10-24-15(9-25-18)11-27-19-3-2-16(29-20(22)23)6-13(19)8-26-27/h2-10,20H,11H2,1H3
InChIKeyKBFFVQZBNUCHEK-UHFFFAOYSA-N
XLogP4.29
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole?
The IUPAC name of 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole (CID 175809954) is 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole?
The canonical SMILES for 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole is COc1cc(F)cc(-c2cnc(Cn3ncc4cc(OC(F)F)ccc43)cn2)c1.
What is the InChIKey of 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole?
The InChIKey is KBFFVQZBNUCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-28-17-5-12(4-14(21)7-17)18-10-24-15(9-25-18)11-27-19-3-2-16(29-20(22)23)6-13(19)8-26-27/h2-10,20H,11H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole?
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole has a molecular weight of 400.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole is sourced from PubChem (CID 175809954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).