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

C19H24N4O4S — CID 53021058

IUPAC3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1OC
InChIInChI=1S/C19H24N4O4S/c1-13(2)12-23-18(22-15-6-5-9-20-19(15)23)11-21-28(24,25)14-7-8-16(26-3)17(10-14)27-4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyMOEQVNOJHVGNCP-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.58
Rot. Bonds8

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

3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (PubChem CID 53021058) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
PubChem CID53021058
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1OC
InChIInChI=1S/C19H24N4O4S/c1-13(2)12-23-18(22-15-6-5-9-20-19(15)23)11-21-28(24,25)14-7-8-16(26-3)17(10-14)27-4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyMOEQVNOJHVGNCP-UHFFFAOYSA-N
XLogP2.58
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53022572
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
4-methoxy-N-[[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020721
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613
N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53020746
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
2-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165282

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (CID 53021058) is 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The InChIKey is MOEQVNOJHVGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13(2)12-23-18(22-15-6-5-9-20-19(15)23)11-21-28(24,25)14-7-8-16(26-3)17(10-14)27-4/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53021058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).