N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine

C18H10F3N5O3 — CID 118733085

IUPACN-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESO=[N+]([O-])c1ccc(Nc2cn3ccnc3c(Oc3c(F)cc(F)cc3F)n2)cc1
InChIInChI=1S/C18H10F3N5O3/c19-10-7-13(20)16(14(21)8-10)29-18-17-22-5-6-25(17)9-15(24-18)23-11-1-3-12(4-2-11)26(27)28/h1-9,23H
InChIKeyCLGFHAUOERUFIV-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.59
Rot. Bonds5

About N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine

N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 118733085) has the molecular formula C18H10F3N5O3 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID118733085
Molecular FormulaC18H10F3N5O3
Molecular Weight401.30 g/mol
Exact Mass401.07
IUPAC NameN-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESO=[N+]([O-])c1ccc(Nc2cn3ccnc3c(Oc3c(F)cc(F)cc3F)n2)cc1
InChIInChI=1S/C18H10F3N5O3/c19-10-7-13(20)16(14(21)8-10)29-18-17-22-5-6-25(17)9-15(24-18)23-11-1-3-12(4-2-11)26(27)28/h1-9,23H
InChIKeyCLGFHAUOERUFIV-UHFFFAOYSA-N
XLogP4.59
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 118733085) is N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine is O=[N+]([O-])c1ccc(Nc2cn3ccnc3c(Oc3c(F)cc(F)cc3F)n2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is CLGFHAUOERUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O3/c19-10-7-13(20)16(14(21)8-10)29-18-17-22-5-6-25(17)9-15(24-18)23-11-1-3-12(4-2-11)26(27)28/h1-9,23H.
What are the key properties of N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 401.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-8-(2,4,6-trifluorophenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 118733085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).