3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide

C19H24N4O2S — CID 53022572

IUPAC3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1C
InChIInChI=1S/C19H24N4O2S/c1-13(2)12-23-18(22-17-6-5-9-20-19(17)23)11-21-26(24,25)16-8-7-14(3)15(4)10-16/h5-10,13,21H,11-12H2,1-4H3
InChIKeyBVTBTSZHEOKBMU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds6

About 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide

3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (PubChem CID 53022572) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
PubChem CID53022572
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1C
InChIInChI=1S/C19H24N4O2S/c1-13(2)12-23-18(22-17-6-5-9-20-19(17)23)11-21-26(24,25)16-8-7-14(3)15(4)10-16/h5-10,13,21H,11-12H2,1-4H3
InChIKeyBVTBTSZHEOKBMU-UHFFFAOYSA-N
XLogP3.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (CID 53022572) is 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The InChIKey is BVTBTSZHEOKBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13(2)12-23-18(22-17-6-5-9-20-19(17)23)11-21-26(24,25)16-8-7-14(3)15(4)10-16/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53022572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).