2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C18H15Cl2N5O2S — CID 133462898

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12
InChIInChI=1S/C18H15Cl2N5O2S/c19-14-5-4-13(11-15(14)20)28(26,27)24-9-7-23(8-10-24)18-16(12-21)25-6-2-1-3-17(25)22-18/h1-6,11H,7-10H2
InChIKeyYGZFQTWOJNPWHO-UHFFFAOYSA-N
MW436.32 g/mol
LogP3.02
Rot. Bonds3

About 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133462898) has the molecular formula C18H15Cl2N5O2S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133462898
Molecular FormulaC18H15Cl2N5O2S
Molecular Weight436.32 g/mol
Exact Mass435.03
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12
InChIInChI=1S/C18H15Cl2N5O2S/c19-14-5-4-13(11-15(14)20)28(26,27)24-9-7-23(8-10-24)18-16(12-21)25-6-2-1-3-17(25)22-18/h1-6,11H,7-10H2
InChIKeyYGZFQTWOJNPWHO-UHFFFAOYSA-N
XLogP3.02
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462995
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46560149
2-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 75453533
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463527
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
4-[4-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27330186
2-(4-chlorophenyl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
CID 3653664
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133462898) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is YGZFQTWOJNPWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2S/c19-14-5-4-13(11-15(14)20)28(26,27)24-9-7-23(8-10-24)18-16(12-21)25-6-2-1-3-17(25)22-18/h1-6,11H,7-10H2.
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 436.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133462898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).