ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C15H20N4O3 — CID 21050440

IUPACethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(OC)nc3cccnc32)CC1
InChIInChI=1S/C15H20N4O3/c1-3-22-15(20)18-9-6-11(7-10-18)19-13-12(5-4-8-16-13)17-14(19)21-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyPFGCTDQJGYRJFI-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.23
Rot. Bonds3

About ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 21050440) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID21050440
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(OC)nc3cccnc32)CC1
InChIInChI=1S/C15H20N4O3/c1-3-22-15(20)18-9-6-11(7-10-18)19-13-12(5-4-8-16-13)17-14(19)21-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyPFGCTDQJGYRJFI-UHFFFAOYSA-N
XLogP2.23
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
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
benzyl 4-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 71628881
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 46286590
ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 59360883
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
[1-[(2-aminopyrimidin-1-ium-5-yl)methyl]piperidin-4-yl]-[4-(2-ethoxyimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 163531441
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
CID 79481013
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108456
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 21050440) is ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(OC)nc3cccnc32)CC1.
What is the InChIKey of ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is PFGCTDQJGYRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-22-15(20)18-9-6-11(7-10-18)19-13-12(5-4-8-16-13)17-14(19)21-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 21050440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).