[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone

C21H12F4N2O2 — CID 71481876

IUPAC[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c3cc(F)c(F)cc3nn2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H12F4N2O2/c1-29-13-5-2-11(3-6-13)21(28)20-14-9-17(24)18(25)10-19(14)26-27(20)12-4-7-15(22)16(23)8-12/h2-10H,1H3
InChIKeySGODWYLCHNVLAQ-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.82
Rot. Bonds4

About [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone

[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 71481876) has the molecular formula C21H12F4N2O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID71481876
Molecular FormulaC21H12F4N2O2
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC Name[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c3cc(F)c(F)cc3nn2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H12F4N2O2/c1-29-13-5-2-11(3-6-13)21(28)20-14-9-17(24)18(25)10-19(14)26-27(20)12-4-7-15(22)16(23)8-12/h2-10H,1H3
InChIKeySGODWYLCHNVLAQ-UHFFFAOYSA-N
XLogP4.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone
CID 71481875
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
CID 139790694
1-(3,4-difluorophenyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 4787755
4-(4-fluoro-6-methoxynaphthalen-2-yl)pent-3-en-2-one
CID 54428353
1-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 121427093

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone (CID 71481876) is [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c3cc(F)c(F)cc3nn2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is SGODWYLCHNVLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O2/c1-29-13-5-2-11(3-6-13)21(28)20-14-9-17(24)18(25)10-19(14)26-27(20)12-4-7-15(22)16(23)8-12/h2-10H,1H3.
What are the key properties of [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone?
[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 400.33 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71481876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).