6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

C19H13FN6O2 — CID 157297472

IUPAC6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc([N+](=O)[O-])n3CC)cn12
InChIInChI=1S/C19H13FN6O2/c1-3-24-18(13-6-9-15-22-10-16(21-2)25(15)11-13)17(23-19(24)26(27)28)12-4-7-14(20)8-5-12/h4-11H,3H2,1H3
InChIKeyJNFRKBHPSYCBMO-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.48
Rot. Bonds4

About 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 157297472) has the molecular formula C19H13FN6O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID157297472
Molecular FormulaC19H13FN6O2
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc([N+](=O)[O-])n3CC)cn12
InChIInChI=1S/C19H13FN6O2/c1-3-24-18(13-6-9-15-22-10-16(21-2)25(15)11-13)17(23-19(24)26(27)28)12-4-7-14(20)8-5-12/h4-11H,3H2,1H3
InChIKeyJNFRKBHPSYCBMO-UHFFFAOYSA-N
XLogP4.48
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737362
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 161438503
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510459
6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 158172983
carbon dioxide;2-[[5-ethyl-3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol;[3-(4-fluorophenyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-5-yl]methanol
CID 159996476
1-ethyl-2-(4-fluorophenyl)-5-nitropyrrolo[2,3-b]pyridine
CID 67284498
6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine
CID 140737263
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylimidazo[1,2-a]pyridine
CID 145148982
3-isocyano-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 153434233
6-(4-fluorophenyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372632

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 157297472) is 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc([N+](=O)[O-])n3CC)cn12.
What is the InChIKey of 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is JNFRKBHPSYCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2/c1-3-24-18(13-6-9-15-22-10-16(21-2)25(15)11-13)17(23-19(24)26(27)28)12-4-7-14(20)8-5-12/h4-11H,3H2,1H3.
What are the key properties of 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 376.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 157297472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).