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

C25H26FN5O2S — CID 46389173

IUPAC2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26FN5O2S/c1-2-19-8-10-22(11-9-19)34(32,33)30-15-13-29(14-16-30)18-24-28-23-7-4-12-27-25(23)31(24)21-6-3-5-20(26)17-21/h3-12,17H,2,13-16,18H2,1H3
InChIKeyYOEFRAQTTHMBMP-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.63
Rot. Bonds6

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

2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 46389173) 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-(3-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID46389173
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26FN5O2S/c1-2-19-8-10-22(11-9-19)34(32,33)30-15-13-29(14-16-30)18-24-28-23-7-4-12-27-25(23)31(24)21-6-3-5-20(26)17-21/h3-12,17H,2,13-16,18H2,1H3
InChIKeyYOEFRAQTTHMBMP-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

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

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Related Compounds

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CID 14652
pan-RAF Inhibitor XP-102
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DB-02197
CID 5288527
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
Imidazopyridine 12d
CID 5329350
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-2-amine
CID 44431999

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine (CID 46389173) is 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine is CCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is YOEFRAQTTHMBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-2-19-8-10-22(11-9-19)34(32,33)30-15-13-29(14-16-30)18-24-28-23-7-4-12-27-25(23)31(24)21-6-3-5-20(26)17-21/h3-12,17H,2,13-16,18H2,1H3.
What are the key properties of 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine?
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-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-(3-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).