6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine

C13H13FIN5 — CID 67984343

IUPAC6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1
InChIInChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19)
InChIKeyZPYNALZKXCPYRE-UHFFFAOYSA-N
MW385.18 g/mol
LogP1.84
Rot. Bonds1

About 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine

6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine (PubChem CID 67984343) has the molecular formula C13H13FIN5 and a molecular weight of 385.18 g/mol. Its IUPAC name is 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
PubChem CID67984343
Molecular FormulaC13H13FIN5
Molecular Weight385.18 g/mol
Exact Mass385.02
IUPAC Name6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1
InChIInChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19)
InChIKeyZPYNALZKXCPYRE-UHFFFAOYSA-N
XLogP1.84
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine (CID 67984343) is 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine is CC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1.
What is the InChIKey of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ZPYNALZKXCPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19).
What are the key properties of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 385.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 67984343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).