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

C26H29F3N4O4 — CID 90275359

IUPAC2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-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)c(F)cc3[nH]2)CC1
InChIInChI=1S/C26H29F3N4O4/c1-26(2,24(34)35)14-3-5-16(6-4-14)37-25-30-20-13-19(29)22(31-23(20)32-25)21-17(27)11-15(12-18(21)28)33-7-9-36-10-8-33/h11-14,16H,3-10H2,1-2H3,(H,34,35)(H,30,31,32)
InChIKeyLJZAHOKUOKAZJZ-UHFFFAOYSA-N
MW518.54 g/mol
LogP4.93
Rot. Bonds6

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

2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid (PubChem CID 90275359) has the molecular formula C26H29F3N4O4 and a molecular weight of 518.54 g/mol. Its IUPAC name is 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-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)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
PubChem CID90275359
Molecular FormulaC26H29F3N4O4
Molecular Weight518.54 g/mol
Exact Mass518.21
IUPAC Name2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-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)c(F)cc3[nH]2)CC1
InChIInChI=1S/C26H29F3N4O4/c1-26(2,24(34)35)14-3-5-16(6-4-14)37-25-30-20-13-19(29)22(31-23(20)32-25)21-17(27)11-15(12-18(21)28)33-7-9-36-10-8-33/h11-14,16H,3-10H2,1-2H3,(H,34,35)(H,30,31,32)
InChIKeyLJZAHOKUOKAZJZ-UHFFFAOYSA-N
XLogP4.93
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-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)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid (CID 90275359) is 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-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)-6-fluoro-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)-6-fluoro-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)c(F)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
The InChIKey is LJZAHOKUOKAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O4/c1-26(2,24(34)35)14-3-5-16(6-4-14)37-25-30-20-13-19(29)22(31-23(20)32-25)21-17(27)11-15(12-18(21)28)33-7-9-36-10-8-33/h11-14,16H,3-10H2,1-2H3,(H,34,35)(H,30,31,32).
What are the key properties of 2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid?
2-[4-[[5-(2,6-difluoro-4-morpholin-4-ylphenyl)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid has a molecular weight of 518.54 g/mol, XLogP of 4.93, 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)-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid is sourced from PubChem (CID 90275359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).