2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C23H19FN6O — CID 67414569

IUPAC2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19FN6O/c1-15-12-30(14-26-15)20-8-7-18(11-21(20)31-2)27-22-23-28-19(13-29(23)10-9-25-22)16-3-5-17(24)6-4-16/h3-14H,1-2H3,(H,25,27)
InChIKeyKOIUNFDYFWNMGH-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 67414569) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID67414569
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19FN6O/c1-15-12-30(14-26-15)20-8-7-18(11-21(20)31-2)27-22-23-28-19(13-29(23)10-9-25-22)16-3-5-17(24)6-4-16/h3-14H,1-2H3,(H,25,27)
InChIKeyKOIUNFDYFWNMGH-UHFFFAOYSA-N
XLogP4.78
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 67414569) is 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is KOIUNFDYFWNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-15-12-30(14-26-15)20-8-7-18(11-21(20)31-2)27-22-23-28-19(13-29(23)10-9-25-22)16-3-5-17(24)6-4-16/h3-14H,1-2H3,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 414.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 67414569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).