ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole

C26H33F2N7OS — CID 168961554

IUPACethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole
SMILESCC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)c2cnn(C)n2)CCN1CC(C)F
InChIInChI=1S/C24H27F2N7OS.C2H6/c1-16-10-22-18(12-28-33(22)20-6-4-19(26)5-7-20)11-21(16)23-15-32(9-8-31(23)14-17(2)25)35(34)24-13-27-30(3)29-24;1-2/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3;1-2H3
InChIKeyJVADYXWANSXPOV-UHFFFAOYSA-N
MW529.66 g/mol
LogP4.37
Rot. Bonds6

About ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole

ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole (PubChem CID 168961554) has the molecular formula C26H33F2N7OS and a molecular weight of 529.66 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole
PubChem CID168961554
Molecular FormulaC26H33F2N7OS
Molecular Weight529.66 g/mol
Exact Mass529.24
IUPAC Nameethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole
SMILESCC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)c2cnn(C)n2)CCN1CC(C)F
InChIInChI=1S/C24H27F2N7OS.C2H6/c1-16-10-22-18(12-28-33(22)20-6-4-19(26)5-7-20)11-21(16)23-15-32(9-8-31(23)14-17(2)25)35(34)24-13-27-30(3)29-24;1-2/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3;1-2H3
InChIKeyJVADYXWANSXPOV-UHFFFAOYSA-N
XLogP4.37
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-propylpiperazin-2-yl]indazole
CID 168961592
1-(4-fluorophenyl)-6-methyl-5-[4-(2-methyltriazol-4-yl)sulfinyl-1-phenylpiperazin-2-yl]indazole
CID 168961456
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-pyridin-2-ylsulfinylpiperazin-2-yl]indazole
CID 168961535
ethane;N-(4-fluorophenyl)-4-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-2-methanimidoyl-5-methylaniline
CID 168961406
5-[4-cyclobutylsulfinyl-1-(3,3,3-trifluoro-2-methylpropyl)piperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961591
1-(4-fluorophenyl)-6-methyl-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813134
5-[1-ethyl-4-(2-methyltriazol-4-yl)sulfanylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961481
1-(4-fluorophenyl)-6-methyl-5-[(2S)-1-(2-methylpropyl)-4-(2-methylpropylsulfonyl)piperazin-2-yl]indazole
CID 168812766
6-fluoro-1-(4-fluorophenyl)-5-[1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813143
1-[(2R)-2-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-(2-methyltriazol-4-yl)sulfonylpiperazin-1-yl]propan-2-one
CID 168813207
5-[(2S)-1-(cyclobutylmethyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168812921
1-(4-fluorophenyl)-6-methylindazole;[3-(2-methyltriazol-4-yl)sulfinyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 168960768

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole?
The IUPAC name of ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole (CID 168961554) is ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole.
What is the SMILES notation for ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole?
The canonical SMILES for ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole is CC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CN(S(=O)c2cnn(C)n2)CCN1CC(C)F.
What is the InChIKey of ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole?
The InChIKey is JVADYXWANSXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7OS.C2H6/c1-16-10-22-18(12-28-33(22)20-6-4-19(26)5-7-20)11-21(16)23-15-32(9-8-31(23)14-17(2)25)35(34)24-13-27-30(3)29-24;1-2/h4-7,10-13,17,23H,8-9,14-15H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole?
ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole has a molecular weight of 529.66 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)-5-[1-(2-fluoropropyl)-4-(2-methyltriazol-4-yl)sulfinylpiperazin-2-yl]-6-methylindazole is sourced from PubChem (CID 168961554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).