[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

C25H18F2N6O2 — CID 171496453

IUPAC[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C25H18F2N6O2/c1-14(34)35-13-15-2-5-17(6-3-15)33-24-21(32-25(33)22-18(27)10-11-29-23(22)28)9-8-20(31-24)19-7-4-16(26)12-30-19/h2-12H,13H2,1H3,(H2,28,29)
InChIKeyZNHRZVXMZJGYIW-UHFFFAOYSA-N
MW472.46 g/mol
LogP4.47
Rot. Bonds5

About [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (PubChem CID 171496453) has the molecular formula C25H18F2N6O2 and a molecular weight of 472.46 g/mol. Its IUPAC name is [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
PubChem CID171496453
Molecular FormulaC25H18F2N6O2
Molecular Weight472.46 g/mol
Exact Mass472.15
IUPAC Name[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C25H18F2N6O2/c1-14(34)35-13-15-2-5-17(6-3-15)33-24-21(32-25(33)22-18(27)10-11-29-23(22)28)9-8-20(31-24)19-7-4-16(26)12-30-19/h2-12H,13H2,1H3,(H2,28,29)
InChIKeyZNHRZVXMZJGYIW-UHFFFAOYSA-N
XLogP4.47
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate with MolForge

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
CID 171493880
[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171494066
[4-[2-(3-aminopyrazin-2-yl)-5-[6-(fluoromethoxy)-3-pyridinyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate;ethane
CID 171496186
[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171495972
[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316736
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
CID 177316714
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
[4-[2-(3-aminopyrazin-2-yl)-5-(6-methoxy-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599374
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The IUPAC name of [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (CID 171496453) is [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.
What is the SMILES notation for [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The canonical SMILES for [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3c(F)ccnc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.
What is the InChIKey of [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The InChIKey is ZNHRZVXMZJGYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N6O2/c1-14(34)35-13-15-2-5-17(6-3-15)33-24-21(32-25(33)22-18(27)10-11-29-23(22)28)9-8-20(31-24)19-7-4-16(26)12-30-19/h2-12H,13H2,1H3,(H2,28,29).
What are the key properties of [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate has a molecular weight of 472.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 171496453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).