2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide

C24H26F2N4O2S — CID 165412798

IUPAC2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide
SMILESCc1cc(-c2n[nH]c(C)c2-c2cc(F)c(N3CCC4(CCS(=O)(=O)CC4)C3)c(F)c2)ccn1
InChIInChI=1S/C24H26F2N4O2S/c1-15-11-17(3-7-27-15)22-21(16(2)28-29-22)18-12-19(25)23(20(26)13-18)30-8-4-24(14-30)5-9-33(31,32)10-6-24/h3,7,11-13H,4-6,8-10,14H2,1-2H3,(H,28,29)
InChIKeyWMOGDWORLOIQCD-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.44
Rot. Bonds3

About 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide

2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide (PubChem CID 165412798) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide
PubChem CID165412798
Molecular FormulaC24H26F2N4O2S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide
SMILESCc1cc(-c2n[nH]c(C)c2-c2cc(F)c(N3CCC4(CCS(=O)(=O)CC4)C3)c(F)c2)ccn1
InChIInChI=1S/C24H26F2N4O2S/c1-15-11-17(3-7-27-15)22-21(16(2)28-29-22)18-12-19(25)23(20(26)13-18)30-8-4-24(14-30)5-9-33(31,32)10-6-24/h3,7,11-13H,4-6,8-10,14H2,1-2H3,(H,28,29)
InChIKeyWMOGDWORLOIQCD-UHFFFAOYSA-N
XLogP4.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide 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-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide?
The IUPAC name of 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide (CID 165412798) is 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide.
What is the SMILES notation for 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide?
The canonical SMILES for 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide is Cc1cc(-c2n[nH]c(C)c2-c2cc(F)c(N3CCC4(CCS(=O)(=O)CC4)C3)c(F)c2)ccn1.
What is the InChIKey of 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide?
The InChIKey is WMOGDWORLOIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c1-15-11-17(3-7-27-15)22-21(16(2)28-29-22)18-12-19(25)23(20(26)13-18)30-8-4-24(14-30)5-9-33(31,32)10-6-24/h3,7,11-13H,4-6,8-10,14H2,1-2H3,(H,28,29).
What are the key properties of 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide?
2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide has a molecular weight of 472.56 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8λ6-thia-2-azaspiro[4.5]decane 8,8-dioxide is sourced from PubChem (CID 165412798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).