(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C24H23F2N3O2 — CID 168971879

IUPAC(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)n(-c2cc(F)ccc2C)n1
InChIInChI=1S/C24H23F2N3O2/c1-14-3-4-17(25)8-21(14)29-22(7-15(2)27-29)16-10-24(11-16)12-28(13-24)23(31)19-9-18(30)5-6-20(19)26/h3-9,16,30H,10-13H2,1-2H3
InChIKeyZTTXTFGDRUMDHA-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.49
Rot. Bonds3

About (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 168971879) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID168971879
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)n(-c2cc(F)ccc2C)n1
InChIInChI=1S/C24H23F2N3O2/c1-14-3-4-17(25)8-21(14)29-22(7-15(2)27-29)16-10-24(11-16)12-28(13-24)23(31)19-9-18(30)5-6-20(19)26/h3-9,16,30H,10-13H2,1-2H3
InChIKeyZTTXTFGDRUMDHA-UHFFFAOYSA-N
XLogP4.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 168971879) is (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1cc(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)n(-c2cc(F)ccc2C)n1.
What is the InChIKey of (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is ZTTXTFGDRUMDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-14-3-4-17(25)8-21(14)29-22(7-15(2)27-29)16-10-24(11-16)12-28(13-24)23(31)19-9-18(30)5-6-20(19)26/h3-9,16,30H,10-13H2,1-2H3.
What are the key properties of (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 423.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-hydroxyphenyl)-[6-[2-(5-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 168971879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).