1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one

C21H23N5OS — CID 58483570

IUPAC1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12
InChIInChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3
InChIKeyWCFRHSMOXDFMTP-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one

1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 58483570) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID58483570
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12
InChIInChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3
InChIKeyWCFRHSMOXDFMTP-UHFFFAOYSA-N
XLogP3.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
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
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
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
CID 56673684
[4-(3-Methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 58483567
3-Methylsulfanyl-1-phenyl-6-(3-piperazin-1-ylpyrrolidin-1-yl)indazole
CID 58483572
6-(1,4-Diazepan-1-yl)-3-methylsulfanyl-1-phenylindazole
CID 58483573

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one (CID 58483570) is 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one is CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12.
What is the InChIKey of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is WCFRHSMOXDFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-28-20-18-8-7-16(13-19(18)26(23-20)15-5-3-2-4-6-15)24-11-12-25(21(24)27)17-9-10-22-14-17/h2-8,13,17,22H,9-12,14H2,1H3.
What are the key properties of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 393.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 58483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).