5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine

C18H13ClFN5 — CID 137372402

IUPAC5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nccn23)cc(Cl)n1
InChIInChI=1S/C18H13ClFN5/c1-10-8-12(9-14(19)23-10)16-15(11-2-4-13(20)5-3-11)24-17(21)18-22-6-7-25(16)18/h2-9H,1H3,(H2,21,24)
InChIKeyBIUVCGGPDWVCMO-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.14
Rot. Bonds2

About 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine

5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372402) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372402
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nccn23)cc(Cl)n1
InChIInChI=1S/C18H13ClFN5/c1-10-8-12(9-14(19)23-10)16-15(11-2-4-13(20)5-3-11)24-17(21)18-22-6-7-25(16)18/h2-9H,1H3,(H2,21,24)
InChIKeyBIUVCGGPDWVCMO-UHFFFAOYSA-N
XLogP4.14
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine (CID 137372402) is 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3nccn23)cc(Cl)n1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BIUVCGGPDWVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-10-8-12(9-14(19)23-10)16-15(11-2-4-13(20)5-3-11)24-17(21)18-22-6-7-25(16)18/h2-9H,1H3,(H2,21,24).
What are the key properties of 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 353.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).