3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

C23H15F4N5O — CID 46943822

IUPAC3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cccc5cccnc45)cnc23)c1
InChIInChI=1S/C23H15F4N5O/c24-22(25)23(26,27)33-16-7-2-6-15(12-16)31-20-21-30-13-18(32(21)11-10-29-20)17-8-1-4-14-5-3-9-28-19(14)17/h1-13,22H,(H,29,31)
InChIKeyGYGKEMOOKJTBJH-UHFFFAOYSA-N
MW453.40 g/mol
LogP5.92
Rot. Bonds6

About 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 46943822) has the molecular formula C23H15F4N5O and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID46943822
Molecular FormulaC23H15F4N5O
Molecular Weight453.40 g/mol
Exact Mass453.12
IUPAC Name3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cccc5cccnc45)cnc23)c1
InChIInChI=1S/C23H15F4N5O/c24-22(25)23(26,27)33-16-7-2-6-15(12-16)31-20-21-30-13-18(32(21)11-10-29-20)17-8-1-4-14-5-3-9-28-19(14)17/h1-13,22H,(H,29,31)
InChIKeyGYGKEMOOKJTBJH-UHFFFAOYSA-N
XLogP5.92
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 46943822) is 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is FC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cccc5cccnc45)cnc23)c1.
What is the InChIKey of 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GYGKEMOOKJTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5O/c24-22(25)23(26,27)33-16-7-2-6-15(12-16)31-20-21-30-13-18(32(21)11-10-29-20)17-8-1-4-14-5-3-9-28-19(14)17/h1-13,22H,(H,29,31).
What are the key properties of 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 453.40 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 46943822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).