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

C20H16FN5 — CID 140737362

IUPAC6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)cn12
InChIInChI=1S/C20H16FN5/c1-13(2)26-12-24-19(14-4-7-16(21)8-5-14)20(26)15-6-9-17-23-10-18(22-3)25(17)11-15/h4-13H,1-2H3
InChIKeyFRCGPHRMKNAOEW-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.14
Rot. Bonds3

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

6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 140737362) has the molecular formula C20H16FN5 and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID140737362
Molecular FormulaC20H16FN5
Molecular Weight345.38 g/mol
Exact Mass345.14
IUPAC Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)cn12
InChIInChI=1S/C20H16FN5/c1-13(2)26-12-24-19(14-4-7-16(21)8-5-14)20(26)15-6-9-17-23-10-18(22-3)25(17)11-15/h4-13H,1-2H3
InChIKeyFRCGPHRMKNAOEW-UHFFFAOYSA-N
XLogP5.14
TPSA39.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 157297472
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
6-[3-(3,3-difluorocyclobutyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
CID 145148974
6-(5-bromo-3-propan-2-ylimidazol-4-yl)-3-isocyanoimidazo[1,2-b]pyridazine
CID 153277543
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-2-sulfonyl-1H-pyrimidine
CID 22722069
6-[5-(3-chloro-4-fluorophenyl)-3-(3-methylbutyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-b]pyridazine
CID 140737275
1-[4-(3-chloro-4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]propan-2-ol
CID 147376187
6-[5-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434315

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 140737362) is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C(C)C)cn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is FRCGPHRMKNAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5/c1-13(2)26-12-24-19(14-4-7-16(21)8-5-14)20(26)15-6-9-17-23-10-18(22-3)25(17)11-15/h4-13H,1-2H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 345.38 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 140737362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).