N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide

C20H22N4OS — CID 56683597

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
InChIInChI=1S/C20H22N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25)
InChIKeyCIYHEMXGQAGSSF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.69
Rot. Bonds4

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide

N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide (PubChem CID 56683597) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
PubChem CID56683597
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12
InChIInChI=1S/C20H22N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25)
InChIKeyCIYHEMXGQAGSSF-UHFFFAOYSA-N
XLogP3.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
[4-(3-Methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 56659840
N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide
CID 56663308
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
N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide
CID 56676999
3-Methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
CID 56680271
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-piperazin-1-ylpropanamide
CID 56683647
2-({3,4-Dimethyl-2-phenyl-2H-pyrazolo[3,4-D]pyridazin-7-YL}sulfanyl)-N-[(2-methylphenyl)methyl]acetamide
CID 16023196
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
CID 56673684
3-Methylsulfanyl-1-phenyl-6-piperidin-4-ylindazole
CID 56680270

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide (CID 56683597) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide is CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide?
The InChIKey is CIYHEMXGQAGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56683597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).