5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine

C20H17FN4O3S — CID 59429862

IUPAC5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CS(=O)c2nc3nc(Oc4cccc(F)c4)ccc3[nH]2)c1C
InChIInChI=1S/C20H17FN4O3S/c1-12-16(22-9-8-17(12)27-2)11-29(26)20-23-15-6-7-18(24-19(15)25-20)28-14-5-3-4-13(21)10-14/h3-10H,11H2,1-2H3,(H,23,24,25)
InChIKeyGYEWFTUTYIASKC-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.91
Rot. Bonds6

About 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine

5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59429862) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
PubChem CID59429862
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CS(=O)c2nc3nc(Oc4cccc(F)c4)ccc3[nH]2)c1C
InChIInChI=1S/C20H17FN4O3S/c1-12-16(22-9-8-17(12)27-2)11-29(26)20-23-15-6-7-18(24-19(15)25-20)28-14-5-3-4-13(21)10-14/h3-10H,11H2,1-2H3,(H,23,24,25)
InChIKeyGYEWFTUTYIASKC-UHFFFAOYSA-N
XLogP3.91
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine (CID 59429862) is 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CS(=O)c2nc3nc(Oc4cccc(F)c4)ccc3[nH]2)c1C.
What is the InChIKey of 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GYEWFTUTYIASKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-12-16(22-9-8-17(12)27-2)11-29(26)20-23-15-6-7-18(24-19(15)25-20)28-14-5-3-4-13(21)10-14/h3-10H,11H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine?
5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 412.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59429862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).