6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one

C17H11F2N3O3 — CID 25059514

IUPAC6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1cnn(O)c1
InChIInChI=1S/C17H11F2N3O3/c18-13-6-5-12-15(14(13)19)21-16(24)17(12,10-7-20-22(25)8-10)9-1-3-11(23)4-2-9/h1-8,23,25H,(H,21,24)
InChIKeyWGEPGMPKVWYCSW-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.39
Rot. Bonds2

About 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one

6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one (PubChem CID 25059514) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one
PubChem CID25059514
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1cnn(O)c1
InChIInChI=1S/C17H11F2N3O3/c18-13-6-5-12-15(14(13)19)21-16(24)17(12,10-7-20-22(25)8-10)9-1-3-11(23)4-2-9/h1-8,23,25H,(H,21,24)
InChIKeyWGEPGMPKVWYCSW-UHFFFAOYSA-N
XLogP2.39
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one?
The IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one (CID 25059514) is 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one?
The canonical SMILES for 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1cnn(O)c1.
What is the InChIKey of 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one?
The InChIKey is WGEPGMPKVWYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c18-13-6-5-12-15(14(13)19)21-16(24)17(12,10-7-20-22(25)8-10)9-1-3-11(23)4-2-9/h1-8,23,25H,(H,21,24).
What are the key properties of 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one?
6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one has a molecular weight of 343.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 25059514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).