1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

C23H24FN5O2S — CID 118674467

IUPAC1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O2S/c1-23(2)10-16(15-29(23)32(30,31)21-6-4-20(24)5-7-21)14-28-22-8-3-17(9-18(22)13-27-28)19-11-25-26-12-19/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,25,26)
InChIKeyYXICOINMFSXEPV-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.05
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (PubChem CID 118674467) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
PubChem CID118674467
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O2S/c1-23(2)10-16(15-29(23)32(30,31)21-6-4-20(24)5-7-21)14-28-22-8-3-17(9-18(22)13-27-28)19-11-25-26-12-19/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,25,26)
InChIKeyYXICOINMFSXEPV-UHFFFAOYSA-N
XLogP4.05
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The IUPAC name of 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (CID 118674467) is 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The canonical SMILES for 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The InChIKey is YXICOINMFSXEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-23(2)10-16(15-29(23)32(30,31)21-6-4-20(24)5-7-21)14-28-22-8-3-17(9-18(22)13-27-28)19-11-25-26-12-19/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,25,26).
What are the key properties of 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole has a molecular weight of 453.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is sourced from PubChem (CID 118674467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).