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

C20H16BrN5O2 — CID 177316668

IUPAC[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(Br)cc32)cc1
InChIInChI=1S/C20H16BrN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-17-9-14(21)10-24-19(17)25-20(26)16-3-2-8-23-18(16)22/h2-10H,11H2,1H3,(H2,22,23)
InChIKeyMJRLMQDOMYYERR-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.89
Rot. Bonds4

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

[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate (PubChem CID 177316668) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
PubChem CID177316668
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(Br)cc32)cc1
InChIInChI=1S/C20H16BrN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-17-9-14(21)10-24-19(17)25-20(26)16-3-2-8-23-18(16)22/h2-10H,11H2,1H3,(H2,22,23)
InChIKeyMJRLMQDOMYYERR-UHFFFAOYSA-N
XLogP3.89
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316736
[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methyl acetate
CID 171599439
[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)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316980
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-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
CID 70185760
[4-[2-(2-amino-3-pyridinyl)-5-isocyanobenzimidazol-1-yl]phenyl]methanol
CID 171599320
3-[3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 171493911
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 171495483
2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
CID 171494383
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate (CID 177316668) is [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3cccnc3N)nc3ncc(Br)cc32)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
The InChIKey is MJRLMQDOMYYERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-12(27)28-11-13-4-6-15(7-5-13)26-17-9-14(21)10-24-19(17)25-20(26)16-3-2-8-23-18(16)22/h2-10H,11H2,1H3,(H2,22,23).
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate?
[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate has a molecular weight of 438.29 g/mol, XLogP of 3.89, 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-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate is sourced from PubChem (CID 177316668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).