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

C16H21N3O2 — CID 79481013

IUPACethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
SMILESCCOC(=O)C(c1nc2cccnc2n1C1CC1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)13(10(2)3)15-18-12-6-5-9-17-14(12)19(15)11-7-8-11/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyZGPVRZPVAKXAEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.07
Rot. Bonds5

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

ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate (PubChem CID 79481013) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
PubChem CID79481013
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
SMILESCCOC(=O)C(c1nc2cccnc2n1C1CC1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)13(10(2)3)15-18-12-6-5-9-17-14(12)19(15)11-7-8-11/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyZGPVRZPVAKXAEW-UHFFFAOYSA-N
XLogP3.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
(1R)-1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutan-1-amine
CID 97055961
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
cyclobutyl-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42431837
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 46286590
ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate (CID 79481013) is ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate is CCOC(=O)C(c1nc2cccnc2n1C1CC1)C(C)C.
What is the InChIKey of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate?
The InChIKey is ZGPVRZPVAKXAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-16(20)13(10(2)3)15-18-12-6-5-9-17-14(12)19(15)11-7-8-11/h5-6,9-11,13H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate?
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate has a molecular weight of 287.36 g/mol, XLogP of 3.07, 5 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)-3-methylbutanoate is sourced from PubChem (CID 79481013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).