[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone

C24H29N5OS — CID 58483567

IUPAC[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCCCN4)CC3)ccc12
InChIInChI=1S/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3
InChIKeyTVRNKHLXGWCGRZ-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.54
Rot. Bonds4

About [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone

[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone (PubChem CID 58483567) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone
PubChem CID58483567
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCCCN4)CC3)ccc12
InChIInChI=1S/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3
InChIKeyTVRNKHLXGWCGRZ-UHFFFAOYSA-N
XLogP3.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone with MolForge

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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
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
N-{[4-(Dimethylamino)phenyl]methyl}-2-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-B][1,4]thiazin-4-YL}acetamide
CID 16027232
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
CID 56673684
1-(3-Methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
CID 58483570

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone (CID 58483567) is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone is CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCCCN4)CC3)ccc12.
What is the InChIKey of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is TVRNKHLXGWCGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3.
What are the key properties of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone?
[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 435.60 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 58483567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).