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

C24H23ClFN5O2S — CID 46389107

IUPAC2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23ClFN5O2S/c1-17-15-18(25)4-9-22(17)34(32,33)30-13-11-29(12-14-30)16-23-28-21-3-2-10-27-24(21)31(23)20-7-5-19(26)6-8-20/h2-10,15H,11-14,16H2,1H3
InChIKeyPAHNWCVNYVJXLR-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.03
Rot. Bonds5

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

2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 46389107) has the molecular formula C24H23ClFN5O2S and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID46389107
Molecular FormulaC24H23ClFN5O2S
Molecular Weight500.00 g/mol
Exact Mass499.12
IUPAC Name2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23ClFN5O2S/c1-17-15-18(25)4-9-22(17)34(32,33)30-13-11-29(12-14-30)16-23-28-21-3-2-10-27-24(21)31(23)20-7-5-19(26)6-8-20/h2-10,15H,11-14,16H2,1H3
InChIKeyPAHNWCVNYVJXLR-UHFFFAOYSA-N
XLogP4.03
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (CID 46389107) is 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine is Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is PAHNWCVNYVJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2S/c1-17-15-18(25)4-9-22(17)34(32,33)30-13-11-29(12-14-30)16-23-28-21-3-2-10-27-24(21)31(23)20-7-5-19(26)6-8-20/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 500.00 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).