1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole

C24H26FN5O2S — CID 167337357

IUPAC1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C24H26FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-8,14-18H,2,9-13H2,1H3
InChIKeyNQAXUKDFJQVVSI-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole

1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (PubChem CID 167337357) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
PubChem CID167337357
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C24H26FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-8,14-18H,2,9-13H2,1H3
InChIKeyNQAXUKDFJQVVSI-UHFFFAOYSA-N
XLogP4.34
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole (CID 167337357) is 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is CCCn1cc(S(=O)(=O)N2CCC(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
The InChIKey is NQAXUKDFJQVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c1-2-11-28-17-23(16-26-28)33(31,32)29-12-9-18(10-13-29)19-3-8-24-20(14-19)15-27-30(24)22-6-4-21(25)5-7-22/h3-8,14-18H,2,9-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole?
1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole has a molecular weight of 467.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[1-(1-propylpyrazol-4-yl)sulfonylpiperidin-4-yl]indazole is sourced from PubChem (CID 167337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).