ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate

C16H19N5O2 — CID 75147947

IUPACethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1cccn2cc(C(C)(C)C)nc12)N=[N+]=[N-]
InChIInChI=1S/C16H19N5O2/c1-5-23-15(22)12(19-20-17)9-11-7-6-8-21-10-13(16(2,3)4)18-14(11)21/h6-10H,5H2,1-4H3
InChIKeyQJJYOWJBDOOZSX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.85
Rot. Bonds4

About ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate

ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate (PubChem CID 75147947) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate
PubChem CID75147947
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Nameethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1cccn2cc(C(C)(C)C)nc12)N=[N+]=[N-]
InChIInChI=1S/C16H19N5O2/c1-5-23-15(22)12(19-20-17)9-11-7-6-8-21-10-13(16(2,3)4)18-14(11)21/h6-10H,5H2,1-4H3
InChIKeyQJJYOWJBDOOZSX-UHFFFAOYSA-N
XLogP3.85
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 134868996
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ethyl 2-azido-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
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methyl 2-azido-3-(2-ethoxyphenyl)prop-2-enoate
CID 86587267
ethyl 2-azido-3-(5-fluorofuran-2-yl)prop-2-enoate
CID 59648601
(2-tert-butylimidazo[1,2-a]pyridin-8-yl)methanol
CID 46205731
ethyl (Z)-2-azido-3-[5-(2-phenylethyl)thiophen-2-yl]prop-2-enoate
CID 59648650
ethyl (Z)-2-azido-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 86601266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate?
The IUPAC name of ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate (CID 75147947) is ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate is CCOC(=O)C(=Cc1cccn2cc(C(C)(C)C)nc12)N=[N+]=[N-].
What is the InChIKey of ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate?
The InChIKey is QJJYOWJBDOOZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-5-23-15(22)12(19-20-17)9-11-7-6-8-21-10-13(16(2,3)4)18-14(11)21/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate?
ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate has a molecular weight of 313.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azido-3-(2-tert-butylimidazo[1,2-a]pyridin-8-yl)prop-2-enoate is sourced from PubChem (CID 75147947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).