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1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

C22H22FN5O2S — CID 118674519

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C22H22FN5O2S/c23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19/h1-6,11-14,16H,7-10,15H2,(H,24,25)
InChIKeyPVFAXGYMLZDDRO-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.67
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (PubChem CID 118674519) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
PubChem CID118674519
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C22H22FN5O2S/c23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19/h1-6,11-14,16H,7-10,15H2,(H,24,25)
InChIKeyPVFAXGYMLZDDRO-UHFFFAOYSA-N
XLogP3.67
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.67
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)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The IUPAC name of 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (CID 118674519) is 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The canonical SMILES for 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The InChIKey is PVFAXGYMLZDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19/h1-6,11-14,16H,7-10,15H2,(H,24,25).
What are the key properties of 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole has a molecular weight of 439.52 g/mol, XLogP of 3.67, 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)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is sourced from PubChem (CID 118674519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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