1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole

C25H29FN6O2S — CID 166917314

IUPAC1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
SMILESCC(C)Cn1cc(S(=O)(=O)N2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C[C@H]2C)cn1
InChIInChI=1S/C25H29FN6O2S/c1-18(2)15-30-17-24(14-27-30)35(33,34)31-11-10-29(16-19(31)3)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,10-11,15-16H2,1-3H3/t19-/m1/s1
InChIKeyUJFRRMQFAYEZNC-LJQANCHMSA-N
MW496.61 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole

1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole (PubChem CID 166917314) has the molecular formula C25H29FN6O2S and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
PubChem CID166917314
Molecular FormulaC25H29FN6O2S
Molecular Weight496.61 g/mol
Exact Mass496.21
IUPAC Name1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
SMILESCC(C)Cn1cc(S(=O)(=O)N2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C[C@H]2C)cn1
InChIInChI=1S/C25H29FN6O2S/c1-18(2)15-30-17-24(14-27-30)35(33,34)31-11-10-29(16-19(31)3)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,10-11,15-16H2,1-3H3/t19-/m1/s1
InChIKeyUJFRRMQFAYEZNC-LJQANCHMSA-N
XLogP3.92
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole (CID 166917314) is 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole is CC(C)Cn1cc(S(=O)(=O)N2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C[C@H]2C)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole?
The InChIKey is UJFRRMQFAYEZNC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29FN6O2S/c1-18(2)15-30-17-24(14-27-30)35(33,34)31-11-10-29(16-19(31)3)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,10-11,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole?
1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole has a molecular weight of 496.61 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole is sourced from PubChem (CID 166917314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).