5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile

C17H12F4N6 — CID 170084062

IUPAC5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile
SMILES[H]/N=C(\c1cnc(C#N)cc1NCC(C)(F)F)c1cnc2c(F)cc(F)cn12
InChIInChI=1S/C17H12F4N6/c1-17(20,21)8-26-13-3-10(4-22)24-5-11(13)15(23)14-6-25-16-12(19)2-9(18)7-27(14)16/h2-3,5-7,23H,8H2,1H3,(H,24,26)/b23-15+
InChIKeyQUDWDQOANWJZJB-HZHRSRAPSA-N
MW376.32 g/mol
LogP3.36
Rot. Bonds5

About 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile

5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile (PubChem CID 170084062) has the molecular formula C17H12F4N6 and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile
PubChem CID170084062
Molecular FormulaC17H12F4N6
Molecular Weight376.32 g/mol
Exact Mass376.11
IUPAC Name5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile
SMILES[H]/N=C(\c1cnc(C#N)cc1NCC(C)(F)F)c1cnc2c(F)cc(F)cn12
InChIInChI=1S/C17H12F4N6/c1-17(20,21)8-26-13-3-10(4-22)24-5-11(13)15(23)14-6-25-16-12(19)2-9(18)7-27(14)16/h2-3,5-7,23H,8H2,1H3,(H,24,26)/b23-15+
InChIKeyQUDWDQOANWJZJB-HZHRSRAPSA-N
XLogP3.36
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile (CID 170084062) is 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile is [H]/N=C(\c1cnc(C#N)cc1NCC(C)(F)F)c1cnc2c(F)cc(F)cn12.
What is the InChIKey of 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile?
The InChIKey is QUDWDQOANWJZJB-HZHRSRAPSA-N. The full InChI is InChI=1S/C17H12F4N6/c1-17(20,21)8-26-13-3-10(4-22)24-5-11(13)15(23)14-6-25-16-12(19)2-9(18)7-27(14)16/h2-3,5-7,23H,8H2,1H3,(H,24,26)/b23-15+.
What are the key properties of 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile?
5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile has a molecular weight of 376.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-difluoroimidazo[1,2-a]pyridine-3-carboximidoyl)-4-(2,2-difluoropropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 170084062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).