(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone

C16H14N4O4 — CID 69418644

IUPAC(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone
SMILESCCOc1cc(C(=O)c2nc(N)c3ccccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O4/c1-2-24-13-9-10(6-7-11(13)20(22)23)14(21)16-18-15(17)12-5-3-4-8-19(12)16/h3-9H,2,17H2,1H3
InChIKeyIMJABTCHQLILIM-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.45
Rot. Bonds5

About (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone

(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone (PubChem CID 69418644) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone.

Molecular Properties

Compound Name(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone
PubChem CID69418644
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone
SMILESCCOc1cc(C(=O)c2nc(N)c3ccccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O4/c1-2-24-13-9-10(6-7-11(13)20(22)23)14(21)16-18-15(17)12-5-3-4-8-19(12)16/h3-9H,2,17H2,1H3
InChIKeyIMJABTCHQLILIM-UHFFFAOYSA-N
XLogP2.45
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone?
The IUPAC name of (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone (CID 69418644) is (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone.
What is the SMILES notation for (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone?
The canonical SMILES for (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone is CCOc1cc(C(=O)c2nc(N)c3ccccn23)ccc1[N+](=O)[O-].
What is the InChIKey of (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone?
The InChIKey is IMJABTCHQLILIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-2-24-13-9-10(6-7-11(13)20(22)23)14(21)16-18-15(17)12-5-3-4-8-19(12)16/h3-9H,2,17H2,1H3.
What are the key properties of (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone?
(1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone has a molecular weight of 326.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminoimidazo[1,5-a]pyridin-3-yl)-(3-ethoxy-4-nitrophenyl)methanone is sourced from PubChem (CID 69418644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).