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

C18H22N4O3S — CID 53021057

IUPAC4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1
InChIInChI=1S/C18H22N4O3S/c1-13(2)12-22-17(21-16-5-4-10-19-18(16)22)11-20-26(23,24)15-8-6-14(25-3)7-9-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMQCCMNVPUJHEFP-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.57
Rot. Bonds7

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

4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (PubChem CID 53021057) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
PubChem CID53021057
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1
InChIInChI=1S/C18H22N4O3S/c1-13(2)12-22-17(21-16-5-4-10-19-18(16)22)11-20-26(23,24)15-8-6-14(25-3)7-9-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMQCCMNVPUJHEFP-UHFFFAOYSA-N
XLogP2.57
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide (CID 53021057) is 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
The InChIKey is MQCCMNVPUJHEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13(2)12-22-17(21-16-5-4-10-19-18(16)22)11-20-26(23,24)15-8-6-14(25-3)7-9-15/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53021057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).