1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol

C19H20N4O3 — CID 70291269

IUPAC1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol
SMILESC=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC(C)(C)C)n2c1
InChIInChI=1S/C19H20N4O3/c1-12(24)14-7-10-16-20-17(13-5-8-15(9-6-13)23(25)26)18(22(16)11-14)21-19(2,3)4/h5-11,21,24H,1H2,2-4H3
InChIKeyCYQCWJOGCKOBQX-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.65
Rot. Bonds4

About 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol

1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol (PubChem CID 70291269) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol
PubChem CID70291269
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol
SMILESC=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC(C)(C)C)n2c1
InChIInChI=1S/C19H20N4O3/c1-12(24)14-7-10-16-20-17(13-5-8-15(9-6-13)23(25)26)18(22(16)11-14)21-19(2,3)4/h5-11,21,24H,1H2,2-4H3
InChIKeyCYQCWJOGCKOBQX-UHFFFAOYSA-N
XLogP4.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol?
The IUPAC name of 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol (CID 70291269) is 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol.
What is the SMILES notation for 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol?
The canonical SMILES for 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol is C=C(O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC(C)(C)C)n2c1.
What is the InChIKey of 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol?
The InChIKey is CYQCWJOGCKOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(24)14-7-10-16-20-17(13-5-8-15(9-6-13)23(25)26)18(22(16)11-14)21-19(2,3)4/h5-11,21,24H,1H2,2-4H3.
What are the key properties of 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol?
1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol has a molecular weight of 352.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-6-yl]ethenol is sourced from PubChem (CID 70291269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).