7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine

C20H20FN5O — CID 22380198

IUPAC7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(F)cc1-c1nccn1CC(C)Cc1ccnc2nc[nH]c12
InChIInChI=1S/C20H20FN5O/c1-13(9-14-5-6-22-19-18(14)24-12-25-19)11-26-8-7-23-20(26)16-10-15(21)3-4-17(16)27-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24,25)
InChIKeyFZWXFEPJZPNDTN-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.85
Rot. Bonds6

About 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine

7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 22380198) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine
PubChem CID22380198
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(F)cc1-c1nccn1CC(C)Cc1ccnc2nc[nH]c12
InChIInChI=1S/C20H20FN5O/c1-13(9-14-5-6-22-19-18(14)24-12-25-19)11-26-8-7-23-20(26)16-10-15(21)3-4-17(16)27-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24,25)
InChIKeyFZWXFEPJZPNDTN-UHFFFAOYSA-N
XLogP3.85
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine (CID 22380198) is 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(F)cc1-c1nccn1CC(C)Cc1ccnc2nc[nH]c12.
What is the InChIKey of 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FZWXFEPJZPNDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13(9-14-5-6-22-19-18(14)24-12-25-19)11-26-8-7-23-20(26)16-10-15(21)3-4-17(16)27-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24,25).
What are the key properties of 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine?
7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 365.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 22380198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).