2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid

C26H30F2N4O4 — CID 90160686

IUPAC2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCC(Oc2nc3nc(-c4c(F)cc(N5CCOCC5)cc4F)ccc3[nH]2)CC1
InChIInChI=1S/C26H30F2N4O4/c1-26(2,24(33)34)15-3-5-17(6-4-15)36-25-30-21-8-7-20(29-23(21)31-25)22-18(27)13-16(14-19(22)28)32-9-11-35-12-10-32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyQCKUTMOVBBDJEN-UHFFFAOYSA-N
MW500.55 g/mol
LogP4.79
Rot. Bonds6

About 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid

2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid (PubChem CID 90160686) has the molecular formula C26H30F2N4O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
PubChem CID90160686
Molecular FormulaC26H30F2N4O4
Molecular Weight500.55 g/mol
Exact Mass500.22
IUPAC Name2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCC(Oc2nc3nc(-c4c(F)cc(N5CCOCC5)cc4F)ccc3[nH]2)CC1
InChIInChI=1S/C26H30F2N4O4/c1-26(2,24(33)34)15-3-5-17(6-4-15)36-25-30-21-8-7-20(29-23(21)31-25)22-18(27)13-16(14-19(22)28)32-9-11-35-12-10-32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyQCKUTMOVBBDJEN-UHFFFAOYSA-N
XLogP4.79
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid (CID 90160686) is 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCC(Oc2nc3nc(-c4c(F)cc(N5CCOCC5)cc4F)ccc3[nH]2)CC1.
What is the InChIKey of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
The InChIKey is QCKUTMOVBBDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O4/c1-26(2,24(33)34)15-3-5-17(6-4-15)36-25-30-21-8-7-20(29-23(21)31-25)22-18(27)13-16(14-19(22)28)32-9-11-35-12-10-32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,33,34)(H,29,30,31).
What are the key properties of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid has a molecular weight of 500.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid is sourced from PubChem (CID 90160686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).