ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate

C15H21N3O2 — CID 79474968

IUPACethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1nc2cccnc2n1CC
InChIInChI=1S/C15H21N3O2/c1-4-8-11(15(19)20-6-3)13-17-12-9-7-10-16-14(12)18(13)5-2/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKGYPJKVIONRSFY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate

ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate (PubChem CID 79474968) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
PubChem CID79474968
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1nc2cccnc2n1CC
InChIInChI=1S/C15H21N3O2/c1-4-8-11(15(19)20-6-3)13-17-12-9-7-10-16-14(12)18(13)5-2/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKGYPJKVIONRSFY-UHFFFAOYSA-N
XLogP2.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate?
The IUPAC name of ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate (CID 79474968) is ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate is CCCC(C(=O)OCC)c1nc2cccnc2n1CC.
What is the InChIKey of ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate?
The InChIKey is KGYPJKVIONRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-11(15(19)20-6-3)13-17-12-9-7-10-16-14(12)18(13)5-2/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate?
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate has a molecular weight of 275.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate is sourced from PubChem (CID 79474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).