4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline

C19H20N4S — CID 56659842

IUPAC4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline
SMILESCSc1nn(-c2ccc(N)cc2)c2cc(C3=CCNCC3)ccc12
InChIInChI=1S/C19H20N4S/c1-24-19-17-7-2-14(13-8-10-21-11-9-13)12-18(17)23(22-19)16-5-3-15(20)4-6-16/h2-8,12,21H,9-11,20H2,1H3
InChIKeyFWXOAZAZUWTCQQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.71
Rot. Bonds3

About 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline

4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline (PubChem CID 56659842) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline.

Molecular Properties

Compound Name4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline
PubChem CID56659842
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline
SMILESCSc1nn(-c2ccc(N)cc2)c2cc(C3=CCNCC3)ccc12
InChIInChI=1S/C19H20N4S/c1-24-19-17-7-2-14(13-8-10-21-11-9-13)12-18(17)23(22-19)16-5-3-15(20)4-6-16/h2-8,12,21H,9-11,20H2,1H3
InChIKeyFWXOAZAZUWTCQQ-UHFFFAOYSA-N
XLogP3.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(phenylsulfonyl)-5-(piperazin-1-yl)-1H-indazole
CID 10405986
5-amino-N,N-diethyl-2H[1]benzothiopyrano[4,3,2-cd]indazole-2-ethanamine
CID 13689033
1-ethyl-3-(phenylsulfonyl)-5-(piperazin-1-yl)-1H-indazole
CID 49836824
N-[14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl]-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 49860269
3-Methylsulfanyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 53494134
3-Methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1-m-tolyl-1H-indazole
CID 53494135
N-[2-[2-(Diethylamino)ethyl]-2H[1]benzothiopyrano[4,3,2-cd]indazol-5-yl]-1,2-ethanediamine, hydrobromide salt
CID 54585665
3-Methylsulfanyl-1-phenyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56659792
1-(4-Fluorophenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56659841
1-(3-Fluoro-phenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indazole
CID 56666738
3-Methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1-p-tolyl-1H-indazole
CID 56670164
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methylsulfanyl-1-phenylindazole
CID 56673627

Frequently Asked Questions

What is the IUPAC name of 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline?
The IUPAC name of 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline (CID 56659842) is 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline.
What is the SMILES notation for 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline?
The canonical SMILES for 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline is CSc1nn(-c2ccc(N)cc2)c2cc(C3=CCNCC3)ccc12.
What is the InChIKey of 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline?
The InChIKey is FWXOAZAZUWTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-24-19-17-7-2-14(13-8-10-21-11-9-13)12-18(17)23(22-19)16-5-3-15(20)4-6-16/h2-8,12,21H,9-11,20H2,1H3.
What are the key properties of 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline?
4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline has a molecular weight of 336.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline is sourced from PubChem (CID 56659842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).