2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C22H20FN3O3S2 — CID 59632134

IUPAC2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ncccc2F)n1
InChIInChI=1S/C22H20FN3O3S2/c1-22(2,27)20-13-17(26(25-20)21-16(23)8-5-11-24-21)19-10-9-18(30-19)14-6-4-7-15(12-14)31(3,28)29/h4-13,27H,1-3H3
InChIKeyXUMFBIBABGDKRW-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.43
Rot. Bonds5

About 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632134) has the molecular formula C22H20FN3O3S2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID59632134
Molecular FormulaC22H20FN3O3S2
Molecular Weight457.55 g/mol
Exact Mass457.09
IUPAC Name2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ncccc2F)n1
InChIInChI=1S/C22H20FN3O3S2/c1-22(2,27)20-13-17(26(25-20)21-16(23)8-5-11-24-21)19-10-9-18(30-19)14-6-4-7-15(12-14)31(3,28)29/h4-13,27H,1-3H3
InChIKeyXUMFBIBABGDKRW-UHFFFAOYSA-N
XLogP4.43
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol 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 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632134) is 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ncccc2F)n1.
What is the InChIKey of 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is XUMFBIBABGDKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S2/c1-22(2,27)20-13-17(26(25-20)21-16(23)8-5-11-24-21)19-10-9-18(30-19)14-6-4-7-15(12-14)31(3,28)29/h4-13,27H,1-3H3.
What are the key properties of 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 457.55 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).