2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C18H15F2N5O2S — CID 133462995

IUPAC2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc2ccccn12
InChIInChI=1S/C18H15F2N5O2S/c19-13-4-3-5-14(20)17(13)28(26,27)24-10-8-23(9-11-24)18-15(12-21)25-7-2-1-6-16(25)22-18/h1-7H,8-11H2
InChIKeyQEDGRQCIHLGVCI-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133462995) has the molecular formula C18H15F2N5O2S and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133462995
Molecular FormulaC18H15F2N5O2S
Molecular Weight403.41 g/mol
Exact Mass403.09
IUPAC Name2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc2ccccn12
InChIInChI=1S/C18H15F2N5O2S/c19-13-4-3-5-14(20)17(13)28(26,27)24-10-8-23(9-11-24)18-15(12-21)25-7-2-1-6-16(25)22-18/h1-7H,8-11H2
InChIKeyQEDGRQCIHLGVCI-UHFFFAOYSA-N
XLogP2.00
TPSA81.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133462995) is 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is QEDGRQCIHLGVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2S/c19-13-4-3-5-14(20)17(13)28(26,27)24-10-8-23(9-11-24)18-15(12-21)25-7-2-1-6-16(25)22-18/h1-7H,8-11H2.
What are the key properties of 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 403.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).