3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole

C19H21N3S — CID 56680270

IUPAC3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole
SMILESCSc1nn(-c2ccccc2)c2cc(C3CCNCC3)ccc12
InChIInChI=1S/C19H21N3S/c1-23-19-17-8-7-15(14-9-11-20-12-10-14)13-18(17)22(21-19)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3
InChIKeyZULCNSCDKKCPSI-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.21
Rot. Bonds3

About 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole

3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole (PubChem CID 56680270) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole
PubChem CID56680270
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole
SMILESCSc1nn(-c2ccccc2)c2cc(C3CCNCC3)ccc12
InChIInChI=1S/C19H21N3S/c1-23-19-17-8-7-15(14-9-11-20-12-10-14)13-18(17)22(21-19)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3
InChIKeyZULCNSCDKKCPSI-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperidine-4-carboxamide
CID 49800098
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
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
4-[3-Methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazol-1-yl]aniline
CID 56659842
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
3-Methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
CID 56680271
3-Methylsulfanyl-1-(4-nitrophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56680332
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
CID 56683597

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole?
The IUPAC name of 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole (CID 56680270) is 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole.
What is the SMILES notation for 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole?
The canonical SMILES for 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole is CSc1nn(-c2ccccc2)c2cc(C3CCNCC3)ccc12.
What is the InChIKey of 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole?
The InChIKey is ZULCNSCDKKCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-23-19-17-8-7-15(14-9-11-20-12-10-14)13-18(17)22(21-19)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3.
What are the key properties of 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole?
3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole has a molecular weight of 323.47 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole is sourced from PubChem (CID 56680270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).