1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride

C22H26ClN5OS — CID 67447003

IUPAC1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(CC4CCNC4)C3=O)ccc12.Cl
InChIInChI=1S/C22H25N5OS.ClH/c1-29-21-19-8-7-18(13-20(19)27(24-21)17-5-3-2-4-6-17)26-12-11-25(22(26)28)15-16-9-10-23-14-16;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H
InChIKeyAZIIMRWZFNTYDL-UHFFFAOYSA-N
MW444.00 g/mol
LogP4.02
Rot. Bonds5

About 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride

1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride (PubChem CID 67447003) has the molecular formula C22H26ClN5OS and a molecular weight of 444.00 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride
PubChem CID67447003
Molecular FormulaC22H26ClN5OS
Molecular Weight444.00 g/mol
Exact Mass443.15
IUPAC Name1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(CC4CCNC4)C3=O)ccc12.Cl
InChIInChI=1S/C22H25N5OS.ClH/c1-29-21-19-8-7-18(13-20(19)27(24-21)17-5-3-2-4-6-17)26-12-11-25(22(26)28)15-16-9-10-23-14-16;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H
InChIKeyAZIIMRWZFNTYDL-UHFFFAOYSA-N
XLogP4.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride (CID 67447003) is 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride is CSc1nn(-c2ccccc2)c2cc(N3CCN(CC4CCNC4)C3=O)ccc12.Cl.
What is the InChIKey of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride?
The InChIKey is AZIIMRWZFNTYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS.ClH/c1-29-21-19-8-7-18(13-20(19)27(24-21)17-5-3-2-4-6-17)26-12-11-25(22(26)28)15-16-9-10-23-14-16;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H.
What are the key properties of 1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride?
1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-(pyrrolidin-3-ylmethyl)imidazolidin-2-one;hydrochloride has a molecular weight of 444.00 g/mol, XLogP of 4.02, 5 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-ylmethyl)imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 67447003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).