ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate

C18H21N5O3 — CID 142144169

IUPACethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)CCn1c(N)nc2ccc(Oc3ccc(NC)cc3)nc21
InChIInChI=1S/C18H21N5O3/c1-3-25-16(24)10-11-23-17-14(21-18(23)19)8-9-15(22-17)26-13-6-4-12(20-2)5-7-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,21)
InChIKeyWKNDQHMKPRQBEA-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.80
Rot. Bonds7

About ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate

ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate (PubChem CID 142144169) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate
PubChem CID142144169
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Nameethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)CCn1c(N)nc2ccc(Oc3ccc(NC)cc3)nc21
InChIInChI=1S/C18H21N5O3/c1-3-25-16(24)10-11-23-17-14(21-18(23)19)8-9-15(22-17)26-13-6-4-12(20-2)5-7-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,21)
InChIKeyWKNDQHMKPRQBEA-UHFFFAOYSA-N
XLogP2.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate?
The IUPAC name of ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate (CID 142144169) is ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate is CCOC(=O)CCn1c(N)nc2ccc(Oc3ccc(NC)cc3)nc21.
What is the InChIKey of ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate?
The InChIKey is WKNDQHMKPRQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-25-16(24)10-11-23-17-14(21-18(23)19)8-9-15(22-17)26-13-6-4-12(20-2)5-7-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,21).
What are the key properties of ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate?
ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate has a molecular weight of 355.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-amino-5-[4-(methylamino)phenoxy]imidazo[4,5-b]pyridin-3-yl]propanoate is sourced from PubChem (CID 142144169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).