1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole

C25H27F4N7O2S — CID 168812740

IUPAC1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@@H]1CN(S(=O)(=O)c2cnn(C)n2)CCN1C[C@H](C)C(F)(F)F
InChIInChI=1S/C25H27F4N7O2S/c1-16-10-22-18(12-31-36(22)20-6-4-19(26)5-7-20)11-21(16)23-15-35(39(37,38)24-13-30-33(3)32-24)9-8-34(23)14-17(2)25(27,28)29/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3/t17-,23-/m0/s1
InChIKeyFPOZTDFYXFQWQV-SBUREZEXSA-N
MW565.60 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole (PubChem CID 168812740) has the molecular formula C25H27F4N7O2S and a molecular weight of 565.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole
PubChem CID168812740
Molecular FormulaC25H27F4N7O2S
Molecular Weight565.60 g/mol
Exact Mass565.19
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@@H]1CN(S(=O)(=O)c2cnn(C)n2)CCN1C[C@H](C)C(F)(F)F
InChIInChI=1S/C25H27F4N7O2S/c1-16-10-22-18(12-31-36(22)20-6-4-19(26)5-7-20)11-21(16)23-15-35(39(37,38)24-13-30-33(3)32-24)9-8-34(23)14-17(2)25(27,28)29/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3/t17-,23-/m0/s1
InChIKeyFPOZTDFYXFQWQV-SBUREZEXSA-N
XLogP3.85
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.60
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole 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 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole (CID 168812740) is 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@@H]1CN(S(=O)(=O)c2cnn(C)n2)CCN1C[C@H](C)C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole?
The InChIKey is FPOZTDFYXFQWQV-SBUREZEXSA-N. The full InChI is InChI=1S/C25H27F4N7O2S/c1-16-10-22-18(12-31-36(22)20-6-4-19(26)5-7-20)11-21(16)23-15-35(39(37,38)24-13-30-33(3)32-24)9-8-34(23)14-17(2)25(27,28)29/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3/t17-,23-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole has a molecular weight of 565.60 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[(2R)-4-(2-methyltriazol-4-yl)sulfonyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]piperazin-2-yl]indazole is sourced from PubChem (CID 168812740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).