[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone

C23H21ClFN3O2 — CID 168971953

IUPAC[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone
SMILESCc1cnn(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)c1-c1ccccc1Cl
InChIInChI=1S/C23H21ClFN3O2/c1-14-11-26-28(21(14)17-4-2-3-5-19(17)24)15-9-23(10-15)12-27(13-23)22(30)18-8-16(29)6-7-20(18)25/h2-8,11,15,29H,9-10,12-13H2,1H3
InChIKeyGVDPXVQXWCMEIJ-UHFFFAOYSA-N
MW425.89 g/mol
LogP4.83
Rot. Bonds3

About [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone

[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone (PubChem CID 168971953) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone
PubChem CID168971953
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC Name[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone
SMILESCc1cnn(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)c1-c1ccccc1Cl
InChIInChI=1S/C23H21ClFN3O2/c1-14-11-26-28(21(14)17-4-2-3-5-19(17)24)15-9-23(10-15)12-27(13-23)22(30)18-8-16(29)6-7-20(18)25/h2-8,11,15,29H,9-10,12-13H2,1H3
InChIKeyGVDPXVQXWCMEIJ-UHFFFAOYSA-N
XLogP4.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone?
The IUPAC name of [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone (CID 168971953) is [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone.
What is the SMILES notation for [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone?
The canonical SMILES for [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone is Cc1cnn(C2CC3(C2)CN(C(=O)c2cc(O)ccc2F)C3)c1-c1ccccc1Cl.
What is the InChIKey of [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone?
The InChIKey is GVDPXVQXWCMEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c1-14-11-26-28(21(14)17-4-2-3-5-19(17)24)15-9-23(10-15)12-27(13-23)22(30)18-8-16(29)6-7-20(18)25/h2-8,11,15,29H,9-10,12-13H2,1H3.
What are the key properties of [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone?
[6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone has a molecular weight of 425.89 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(2-chlorophenyl)-4-methylpyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-(2-fluoro-5-hydroxyphenyl)methanone is sourced from PubChem (CID 168971953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).