6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

C19H10F3N5 — CID 140738843

IUPAC6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12
InChIInChI=1S/C19H10F3N5/c1-23-16-9-25-15-7-4-11(10-27(15)16)12-3-2-8-24-17(12)14-6-5-13(20)18(26-14)19(21)22/h2-10,19H
InChIKeyBAGPIBKAUVUQHU-UHFFFAOYSA-N
MW365.32 g/mol
LogP5.09
Rot. Bonds3

About 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 140738843) has the molecular formula C19H10F3N5 and a molecular weight of 365.32 g/mol. Its IUPAC name is 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID140738843
Molecular FormulaC19H10F3N5
Molecular Weight365.32 g/mol
Exact Mass365.09
IUPAC Name6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12
InChIInChI=1S/C19H10F3N5/c1-23-16-9-25-15-7-4-11(10-27(15)16)12-3-2-8-24-17(12)14-6-5-13(20)18(26-14)19(21)22/h2-10,19H
InChIKeyBAGPIBKAUVUQHU-UHFFFAOYSA-N
XLogP5.09
TPSA47.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 140738834
3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134546542
amino-[6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 134546506
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 86715530
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 90095751
2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434279
3-isocyano-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 153434233
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737362
6-[5-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434315
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434340

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (CID 140738843) is 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12.
What is the InChIKey of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is BAGPIBKAUVUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5/c1-23-16-9-25-15-7-4-11(10-27(15)16)12-3-2-8-24-17(12)14-6-5-13(20)18(26-14)19(21)22/h2-10,19H.
What are the key properties of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 365.32 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 140738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).