N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C20H13FN6O — CID 90157918

IUPACN-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3cccc(F)n3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C20H13FN6O/c1-26(14-7-5-13(9-22)6-8-14)20(28)16-12-27-17(10-24-19(27)11-23-16)15-3-2-4-18(21)25-15/h2-8,10-12H,1H3
InChIKeySUKVTOAFPDQFEH-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.08
Rot. Bonds3

About N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157918) has the molecular formula C20H13FN6O and a molecular weight of 372.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157918
Molecular FormulaC20H13FN6O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC NameN-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3cccc(F)n3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C20H13FN6O/c1-26(14-7-5-13(9-22)6-8-14)20(28)16-12-27-17(10-24-19(27)11-23-16)15-3-2-4-18(21)25-15/h2-8,10-12H,1H3
InChIKeySUKVTOAFPDQFEH-UHFFFAOYSA-N
XLogP3.08
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157918) is N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3cccc(F)n3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SUKVTOAFPDQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O/c1-26(14-7-5-13(9-22)6-8-14)20(28)16-12-27-17(10-24-19(27)11-23-16)15-3-2-4-18(21)25-15/h2-8,10-12H,1H3.
What are the key properties of N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(6-fluoro-2-pyridinyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).