[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate

C25H19FN6O2 — CID 177316736

IUPAC[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(-c4ccc(F)cn4)cc32)cc1
InChIInChI=1S/C25H19FN6O2/c1-15(33)34-14-16-4-7-19(8-5-16)32-22-11-17(21-9-6-18(26)13-29-21)12-30-24(22)31-25(32)20-3-2-10-28-23(20)27/h2-13H,14H2,1H3,(H2,27,28)
InChIKeyHXDHYEXPXWIEQH-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.33
Rot. Bonds5

About [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate

[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate (PubChem CID 177316736) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
PubChem CID177316736
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(-c4ccc(F)cn4)cc32)cc1
InChIInChI=1S/C25H19FN6O2/c1-15(33)34-14-16-4-7-19(8-5-16)32-22-11-17(21-9-6-18(26)13-29-21)12-30-24(22)31-25(32)20-3-2-10-28-23(20)27/h2-13H,14H2,1H3,(H2,27,28)
InChIKeyHXDHYEXPXWIEQH-UHFFFAOYSA-N
XLogP4.33
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate with MolForge

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316668
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171495972
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316980
[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methyl acetate
CID 171599439
3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316813
[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
[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
3-[3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 177317077
[4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane
CID 171496389
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 177316769
ethane;3-[3-(5-fluoro-2-pyridinyl)-8-methylpyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
CID 177316248

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate (CID 177316736) is [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(-c4ccc(F)cn4)cc32)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The InChIKey is HXDHYEXPXWIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-15(33)34-14-16-4-7-19(8-5-16)32-22-11-17(21-9-6-18(26)13-29-21)12-30-24(22)31-25(32)20-3-2-10-28-23(20)27/h2-13H,14H2,1H3,(H2,27,28).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate has a molecular weight of 454.47 g/mol, XLogP of 4.33, 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-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate is sourced from PubChem (CID 177316736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).