2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride

C17H22ClFN4O2S — CID 120876763

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H21FN4O2S.ClH/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17;/h3-5,10,12,15,19H,1-2,6-9,11H2;1H
InChIKeyIMJWAXHYVKBRNG-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.12
Rot. Bonds3

About 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride

2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride (PubChem CID 120876763) has the molecular formula C17H22ClFN4O2S and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
PubChem CID120876763
Molecular FormulaC17H22ClFN4O2S
Molecular Weight400.91 g/mol
Exact Mass400.11
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H21FN4O2S.ClH/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17;/h3-5,10,12,15,19H,1-2,6-9,11H2;1H
InChIKeyIMJWAXHYVKBRNG-UHFFFAOYSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride with MolForge

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876916
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120764443
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride (CID 120876763) is 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride is Cl.O=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride?
The InChIKey is IMJWAXHYVKBRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S.ClH/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17;/h3-5,10,12,15,19H,1-2,6-9,11H2;1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride is sourced from PubChem (CID 120876763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).