ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate

C13H18N4O3 — CID 115322446

IUPACethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate
SMILESCCOC(=O)CCCn1c(N)nc2ccc(OC)nc21
InChIInChI=1S/C13H18N4O3/c1-3-20-11(18)5-4-8-17-12-9(15-13(17)14)6-7-10(16-12)19-2/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyYEMBUUXTJZJUOL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.37
Rot. Bonds6

About ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate

ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate (PubChem CID 115322446) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate
PubChem CID115322446
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate
SMILESCCOC(=O)CCCn1c(N)nc2ccc(OC)nc21
InChIInChI=1S/C13H18N4O3/c1-3-20-11(18)5-4-8-17-12-9(15-13(17)14)6-7-10(16-12)19-2/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyYEMBUUXTJZJUOL-UHFFFAOYSA-N
XLogP1.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]butanoate
CID 115323105
5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 115322427
ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate
CID 142144169
3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
ethyl 4-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]butanoate
CID 81135835
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
N-[2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)ethyl]methanesulfonamide
CID 115322213
5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
CID 106239996
3-[(2-ethylphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322450
3-(2-ethylhexyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 107816979
5-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 115322400
5-methoxy-3-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106105695

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate?
The IUPAC name of ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate (CID 115322446) is ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate?
The canonical SMILES for ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate is CCOC(=O)CCCn1c(N)nc2ccc(OC)nc21.
What is the InChIKey of ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate?
The InChIKey is YEMBUUXTJZJUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-20-11(18)5-4-8-17-12-9(15-13(17)14)6-7-10(16-12)19-2/h6-7H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate?
ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate has a molecular weight of 278.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate is sourced from PubChem (CID 115322446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).