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

C24H23ClFN5O2S — CID 46389144

IUPAC2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)c1
InChIInChI=1S/C24H23ClFN5O2S/c1-17-4-2-5-18(14-17)31-23(28-22-6-3-9-27-24(22)31)16-29-10-12-30(13-11-29)34(32,33)19-7-8-21(26)20(25)15-19/h2-9,14-15H,10-13,16H2,1H3
InChIKeySVJCCLGSHQZPAE-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.03
Rot. Bonds5

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

2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 46389144) has the molecular formula C24H23ClFN5O2S and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID46389144
Molecular FormulaC24H23ClFN5O2S
Molecular Weight500.00 g/mol
Exact Mass499.12
IUPAC Name2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)c1
InChIInChI=1S/C24H23ClFN5O2S/c1-17-4-2-5-18(14-17)31-23(28-22-6-3-9-27-24(22)31)16-29-10-12-30(13-11-29)34(32,33)19-7-8-21(26)20(25)15-19/h2-9,14-15H,10-13,16H2,1H3
InChIKeySVJCCLGSHQZPAE-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-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine (CID 46389144) is 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine is Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)c1.
What is the InChIKey of 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is SVJCCLGSHQZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2S/c1-17-4-2-5-18(14-17)31-23(28-22-6-3-9-27-24(22)31)16-29-10-12-30(13-11-29)34(32,33)19-7-8-21(26)20(25)15-19/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)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-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).