sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide

C16H17N4NaO3S — CID 23699637

IUPACsodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide
SMILESCOc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1.[Na+]
InChIInChI=1S/C16H17N4O3S.Na/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h5-7H,8H2,1-4H3;/q-1;+1/t24-;/m0./s1
InChIKeyFEOTUYWTBYAGEV-JIDHJSLPSA-N
MW368.39 g/mol
LogP-1.07
Rot. Bonds5

About sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide

sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide (PubChem CID 23699637) has the molecular formula C16H17N4NaO3S and a molecular weight of 368.39 g/mol. Its IUPAC name is sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide.

Molecular Properties

Compound Namesodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide
PubChem CID23699637
Molecular FormulaC16H17N4NaO3S
Molecular Weight368.39 g/mol
Exact Mass368.09
IUPAC Namesodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide
SMILESCOc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1.[Na+]
InChIInChI=1S/C16H17N4O3S.Na/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h5-7H,8H2,1-4H3;/q-1;+1/t24-;/m0./s1
InChIKeyFEOTUYWTBYAGEV-JIDHJSLPSA-N
XLogP-1.07
TPSA88.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide?
The IUPAC name of sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide (CID 23699637) is sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide.
What is the SMILES notation for sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide?
The canonical SMILES for sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide is COc1ccc2[n-]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1.[Na+].
What is the InChIKey of sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide?
The InChIKey is FEOTUYWTBYAGEV-JIDHJSLPSA-N. The full InChI is InChI=1S/C16H17N4O3S.Na/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h5-7H,8H2,1-4H3;/q-1;+1/t24-;/m0./s1.
What are the key properties of sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide?
sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide has a molecular weight of 368.39 g/mol, XLogP of -1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-1-ide is sourced from PubChem (CID 23699637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).