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

C20H16FN5O2 — CID 171495972

IUPAC[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3cc(F)cnc32)cc1
InChIInChI=1S/C20H16FN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-19(16-3-2-8-23-18(16)22)25-17-9-14(21)10-24-20(17)26/h2-10H,11H2,1H3,(H2,22,23)
InChIKeyXADJZMJEXRKGAF-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.27
Rot. Bonds4

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

[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (PubChem CID 171495972) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
PubChem CID171495972
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3cc(F)cnc32)cc1
InChIInChI=1S/C20H16FN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-19(16-3-2-8-23-18(16)22)25-17-9-14(21)10-24-20(17)26/h2-10H,11H2,1H3,(H2,22,23)
InChIKeyXADJZMJEXRKGAF-UHFFFAOYSA-N
XLogP3.27
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (CID 171495972) is [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3cc(F)cnc32)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The InChIKey is XADJZMJEXRKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-19(16-3-2-8-23-18(16)22)25-17-9-14(21)10-24-20(17)26/h2-10H,11H2,1H3,(H2,22,23).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate has a molecular weight of 377.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 171495972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).