1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole

C19H22N4OS — CID 86767139

IUPAC1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole
SMILESCOc1ccc(-n2nc(SC)c3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C19H22N4OS/c1-24-16-6-3-14(4-7-16)23-18-13-15(22-11-9-20-10-12-22)5-8-17(18)19(21-23)25-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZUYXSAJXSRKROC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole

1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole (PubChem CID 86767139) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole
PubChem CID86767139
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole
SMILESCOc1ccc(-n2nc(SC)c3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C19H22N4OS/c1-24-16-6-3-14(4-7-16)23-18-13-15(22-11-9-20-10-12-22)5-8-17(18)19(21-23)25-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZUYXSAJXSRKROC-UHFFFAOYSA-N
XLogP3.17
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole 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

(2-(Diethylamino)ethy]-9-methoxy-2H-[1]-benzothiopyrano[4,3,2-cd]indazole-5-methanamine
CID 9886271
3-Methylsulfanyl-1-phenyl-6-piperidin-4-yloxyindazole
CID 56670113
1-(4-Methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56677000
3-Methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole
CID 56680273
2-({3,4-Dimethyl-2-phenyl-2H-pyrazolo[3,4-D]pyridazin-7-YL}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 16023170
3-(4-methoxyphenylsulfonyl)-4-(piperazin-1-yl)-1H-indazole
CID 49836507
3-(4-methoxyphenylsulfonyl)-6-(piperazin-1-yl)-1H-indazole
CID 49836720
3-Methylsulfanyl-1-phenyl-7-(piperidin-4-ylmethoxy)indazole
CID 56673685
3-Methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56677002
3-Methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole
CID 58483590
3-Methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 58483619
3-Methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole
CID 56663310

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole (CID 86767139) is 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole is COc1ccc(-n2nc(SC)c3ccc(N4CCNCC4)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole?
The InChIKey is ZUYXSAJXSRKROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-24-16-6-3-14(4-7-16)23-18-13-15(22-11-9-20-10-12-22)5-8-17(18)19(21-23)25-2/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole?
1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole has a molecular weight of 354.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole is sourced from PubChem (CID 86767139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).