N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide

C21H24N4OS — CID 56673684

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCNCC3)ccc12
InChIInChI=1S/C21H24N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3,(H,23,26)
InChIKeyPOSJJEIVEJFHLW-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.08
Rot. Bonds5

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide

N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide (PubChem CID 56673684) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
PubChem CID56673684
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCNCC3)ccc12
InChIInChI=1S/C21H24N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3,(H,23,26)
InChIKeyPOSJJEIVEJFHLW-UHFFFAOYSA-N
XLogP4.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.08
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)piperidine-3-carboxamide
CID 56683597
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
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)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide (CID 56673684) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide is CSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCNCC3)ccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide?
The InChIKey is POSJJEIVEJFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-27-21-18-8-7-16(23-20(26)13-15-9-11-22-12-10-15)14-19(18)25(24-21)17-5-3-2-4-6-17/h2-8,14-15,22H,9-13H2,1H3,(H,23,26).
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide has a molecular weight of 380.52 g/mol, XLogP of 4.08, 5 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)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 56673684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).