methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate

C25H24FN3O5 — CID 66775831

IUPACmethyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOCC(C)Oc1cc(OCc2ccccc2F)cc(-c2nc3ncc(C(=O)OC)cc3[nH]2)c1
InChIInChI=1S/C25H24FN3O5/c1-15(13-31-2)34-20-9-17(8-19(11-20)33-14-16-6-4-5-7-21(16)26)23-28-22-10-18(25(30)32-3)12-27-24(22)29-23/h4-12,15H,13-14H2,1-3H3,(H,27,28,29)
InChIKeyIXCULZUXORRYOC-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.54
Rot. Bonds9

About methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate

methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 66775831) has the molecular formula C25H24FN3O5 and a molecular weight of 465.48 g/mol. Its IUPAC name is methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID66775831
Molecular FormulaC25H24FN3O5
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Namemethyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOCC(C)Oc1cc(OCc2ccccc2F)cc(-c2nc3ncc(C(=O)OC)cc3[nH]2)c1
InChIInChI=1S/C25H24FN3O5/c1-15(13-31-2)34-20-9-17(8-19(11-20)33-14-16-6-4-5-7-21(16)26)23-28-22-10-18(25(30)32-3)12-27-24(22)29-23/h4-12,15H,13-14H2,1-3H3,(H,27,28,29)
InChIKeyIXCULZUXORRYOC-UHFFFAOYSA-N
XLogP4.54
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate (CID 66775831) is methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate is COCC(C)Oc1cc(OCc2ccccc2F)cc(-c2nc3ncc(C(=O)OC)cc3[nH]2)c1.
What is the InChIKey of methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is IXCULZUXORRYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5/c1-15(13-31-2)34-20-9-17(8-19(11-20)33-14-16-6-4-5-7-21(16)26)23-28-22-10-18(25(30)32-3)12-27-24(22)29-23/h4-12,15H,13-14H2,1-3H3,(H,27,28,29).
What are the key properties of methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 465.48 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-fluorophenyl)methoxy]-5-(1-methoxypropan-2-yloxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 66775831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).