imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate

C17H16N4O5 — CID 7983275

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
SMILESO=C(OCc1cn2ccccc2n1)c1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H16N4O5/c22-8-6-18-15-5-4-13(21(24)25)9-14(15)17(23)26-11-12-10-20-7-2-1-3-16(20)19-12/h1-5,7,9-10,18,22H,6,8,11H2
InChIKeyQLRKCTHLXCACIW-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.00
Rot. Bonds7

About imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate (PubChem CID 7983275) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
PubChem CID7983275
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
SMILESO=C(OCc1cn2ccccc2n1)c1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H16N4O5/c22-8-6-18-15-5-4-13(21(24)25)9-14(15)17(23)26-11-12-10-20-7-2-1-3-16(20)19-12/h1-5,7,9-10,18,22H,6,8,11H2
InChIKeyQLRKCTHLXCACIW-UHFFFAOYSA-N
XLogP2.00
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
[2-oxo-2-(propylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7983287
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7062941
2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
CID 9185042
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7989965
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 18166317
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 35986410
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 16796855

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate (CID 7983275) is imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate is O=C(OCc1cn2ccccc2n1)c1cc([N+](=O)[O-])ccc1NCCO.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate?
The InChIKey is QLRKCTHLXCACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c22-8-6-18-15-5-4-13(21(24)25)9-14(15)17(23)26-11-12-10-20-7-2-1-3-16(20)19-12/h1-5,7,9-10,18,22H,6,8,11H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate has a molecular weight of 356.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate is sourced from PubChem (CID 7983275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).