ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate

C18H19N5O3 — CID 142598184

IUPACethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnn(C4CN(C(C)=O)C4)c3)ccc2n1
InChIInChI=1S/C18H19N5O3/c1-3-26-18(25)16-11-22-7-13(4-5-17(22)20-16)14-6-19-23(8-14)15-9-21(10-15)12(2)24/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyLOYHGIIFPHYCJD-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.78
Rot. Bonds4

About ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 142598184) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID142598184
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Nameethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnn(C4CN(C(C)=O)C4)c3)ccc2n1
InChIInChI=1S/C18H19N5O3/c1-3-26-18(25)16-11-22-7-13(4-5-17(22)20-16)14-6-19-23(8-14)15-9-21(10-15)12(2)24/h4-8,11,15H,3,9-10H2,1-2H3
InChIKeyLOYHGIIFPHYCJD-UHFFFAOYSA-N
XLogP1.78
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634527
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
6-[1-(1-acetylaziridin-2-yl)pyrazol-4-yl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 165172947
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethyl 12-fluoro-10-(4-methylphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-4-carboxylate
CID 177138721
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 158810826
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012
ethyl 5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indole-2-carboxylate
CID 175663731

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 142598184) is ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnn(C4CN(C(C)=O)C4)c3)ccc2n1.
What is the InChIKey of ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LOYHGIIFPHYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-26-18(25)16-11-22-7-13(4-5-17(22)20-16)14-6-19-23(8-14)15-9-21(10-15)12(2)24/h4-8,11,15H,3,9-10H2,1-2H3.
What are the key properties of ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 142598184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).