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

C19H14FN5 — CID 161438503

IUPAC6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C)cn12
InChIInChI=1S/C19H14FN5/c1-12-18(14-6-9-16-22-10-17(21-2)25(16)11-14)19(23-24(12)3)13-4-7-15(20)8-5-13/h4-11H,1,3H3
InChIKeyVYYPKLRGJIMEHR-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.40
Rot. Bonds2

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

6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 161438503) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID161438503
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C)cn12
InChIInChI=1S/C19H14FN5/c1-12-18(14-6-9-16-22-10-17(21-2)25(16)11-14)19(23-24(12)3)13-4-7-15(20)8-5-13/h4-11H,1,3H3
InChIKeyVYYPKLRGJIMEHR-UHFFFAOYSA-N
XLogP4.40
TPSA39.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.40
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-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434340
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-[5-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434315
6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 157297472
sodium;N-[6-[3-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;N-[6-[5-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;hydride
CID 159695516
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
6-[3-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine
CID 134201731
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
3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 140738834
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 161438503) is 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C)cn12.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is VYYPKLRGJIMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-12-18(14-6-9-16-22-10-17(21-2)25(16)11-14)19(23-24(12)3)13-4-7-15(20)8-5-13/h4-11H,1,3H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 331.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 161438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).