3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride

C15H20ClN5O2S — CID 120876701

IUPAC3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride
SMILESCl.O=S(=O)(c1cnc2n1CCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H19N5O2S.ClH/c21-23(22,15-11-18-14-4-2-7-19(14)15)20-8-6-17-10-13(20)12-3-1-5-16-9-12;/h1,3,5,9,11,13,17H,2,4,6-8,10H2;1H
InChIKeyQWOLMHZWBLVWBJ-UHFFFAOYSA-N
MW369.88 g/mol
LogP0.98
Rot. Bonds3

About 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride

3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride (PubChem CID 120876701) has the molecular formula C15H20ClN5O2S and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride.

Molecular Properties

Compound Name3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride
PubChem CID120876701
Molecular FormulaC15H20ClN5O2S
Molecular Weight369.88 g/mol
Exact Mass369.10
IUPAC Name3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride
SMILESCl.O=S(=O)(c1cnc2n1CCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H19N5O2S.ClH/c21-23(22,15-11-18-14-4-2-7-19(14)15)20-8-6-17-10-13(20)12-3-1-5-16-9-12;/h1,3,5,9,11,13,17H,2,4,6-8,10H2;1H
InChIKeyQWOLMHZWBLVWBJ-UHFFFAOYSA-N
XLogP0.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride?
The IUPAC name of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride (CID 120876701) is 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride.
What is the SMILES notation for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride?
The canonical SMILES for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride is Cl.O=S(=O)(c1cnc2n1CCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride?
The InChIKey is QWOLMHZWBLVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S.ClH/c21-23(22,15-11-18-14-4-2-7-19(14)15)20-8-6-17-10-13(20)12-3-1-5-16-9-12;/h1,3,5,9,11,13,17H,2,4,6-8,10H2;1H.
What are the key properties of 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride?
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride has a molecular weight of 369.88 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;hydrochloride is sourced from PubChem (CID 120876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).