1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine

C22H22N4O5S2 — CID 59620284

IUPAC1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2c(n1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N4O5S2/c1-14-12-23-17(15(2)20(14)31-4)13-32(27)22-25-21-18(10-11-19(24-21)30-3)26(22)33(28,29)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3
InChIKeyFMJXAIXRJQKDFP-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.01
Rot. Bonds7

About 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine

1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine (PubChem CID 59620284) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine
PubChem CID59620284
Molecular FormulaC22H22N4O5S2
Molecular Weight486.58 g/mol
Exact Mass486.10
IUPAC Name1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2c(n1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N4O5S2/c1-14-12-23-17(15(2)20(14)31-4)13-32(27)22-25-21-18(10-11-19(24-21)30-3)26(22)33(28,29)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3
InChIKeyFMJXAIXRJQKDFP-UHFFFAOYSA-N
XLogP3.01
TPSA113.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine (CID 59620284) is 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine is COc1ccc2c(n1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine?
The InChIKey is FMJXAIXRJQKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c1-14-12-23-17(15(2)20(14)31-4)13-32(27)22-25-21-18(10-11-19(24-21)30-3)26(22)33(28,29)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3.
What are the key properties of 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine?
1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine has a molecular weight of 486.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59620284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).