5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide

C23H24N4O2S — CID 54442569

IUPAC5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C23H24N4O2S/c1-4-21-26-22-15(2)12-16(3)25-23(22)27(21)14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)30(24,28)29/h5-13H,4,14H2,1-3H3,(H2,24,28,29)
InChIKeyWPDRPNAOCQSTES-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.97
Rot. Bonds5

About 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide

5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide (PubChem CID 54442569) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
PubChem CID54442569
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C23H24N4O2S/c1-4-21-26-22-15(2)12-16(3)25-23(22)27(21)14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)30(24,28)29/h5-13H,4,14H2,1-3H3,(H2,24,28,29)
InChIKeyWPDRPNAOCQSTES-UHFFFAOYSA-N
XLogP3.97
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The IUPAC name of 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide (CID 54442569) is 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
The InChIKey is WPDRPNAOCQSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-4-21-26-22-15(2)12-16(3)25-23(22)27(21)14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)30(24,28)29/h5-13H,4,14H2,1-3H3,(H2,24,28,29).
What are the key properties of 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide?
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 54442569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).