2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine

C25H26FN5O2S — CID 46389110

IUPAC2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H26FN5O2S/c1-2-19-5-11-22(12-6-19)34(32,33)30-16-14-29(15-17-30)18-24-28-23-4-3-13-27-25(23)31(24)21-9-7-20(26)8-10-21/h3-13H,2,14-18H2,1H3
InChIKeyNVIPBPBMPIBSCN-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.63
Rot. Bonds6

About 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine

2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 46389110) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID46389110
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H26FN5O2S/c1-2-19-5-11-22(12-6-19)34(32,33)30-16-14-29(15-17-30)18-24-28-23-4-3-13-27-25(23)31(24)21-9-7-20(26)8-10-21/h3-13H,2,14-18H2,1H3
InChIKeyNVIPBPBMPIBSCN-UHFFFAOYSA-N
XLogP3.63
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (CID 46389110) is 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine is CCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is NVIPBPBMPIBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-2-19-5-11-22(12-6-19)34(32,33)30-16-14-29(15-17-30)18-24-28-23-4-3-13-27-25(23)31(24)21-9-7-20(26)8-10-21/h3-13H,2,14-18H2,1H3.
What are the key properties of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 479.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).