ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate

C13H15N3O2 — CID 79474872

IUPACethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cccnc2n1C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-18-12(17)8-11-15-10-4-3-7-14-13(10)16(11)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyYBMIUYPUQLCDNE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate

ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate (PubChem CID 79474872) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
PubChem CID79474872
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cccnc2n1C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-18-12(17)8-11-15-10-4-3-7-14-13(10)16(11)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyYBMIUYPUQLCDNE-UHFFFAOYSA-N
XLogP1.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate (CID 79474872) is ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate is CCOC(=O)Cc1nc2cccnc2n1C1CC1.
What is the InChIKey of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate?
The InChIKey is YBMIUYPUQLCDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-12(17)8-11-15-10-4-3-7-14-13(10)16(11)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate?
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate is sourced from PubChem (CID 79474872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).