5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one

C22H23F3N6O3 — CID 59333313

IUPAC5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cnc3c(NCCCOC4CCCCO4)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)13-5-6-16-14(10-13)28-20(26-7-3-9-34-19-4-1-2-8-33-19)21-27-12-17(31(16)21)15-11-18(32)30-29-15/h5-6,10-12,19H,1-4,7-9H2,(H,26,28)(H2,29,30,32)
InChIKeyFHSXPROEVLNXIG-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.93
Rot. Bonds7

About 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one

5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one (PubChem CID 59333313) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
PubChem CID59333313
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cnc3c(NCCCOC4CCCCO4)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)13-5-6-16-14(10-13)28-20(26-7-3-9-34-19-4-1-2-8-33-19)21-27-12-17(31(16)21)15-11-18(32)30-29-15/h5-6,10-12,19H,1-4,7-9H2,(H,26,28)(H2,29,30,32)
InChIKeyFHSXPROEVLNXIG-UHFFFAOYSA-N
XLogP3.93
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one (CID 59333313) is 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one is O=c1cc(-c2cnc3c(NCCCOC4CCCCO4)nc4cc(C(F)(F)F)ccc4n23)[nH][nH]1.
What is the InChIKey of 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is FHSXPROEVLNXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c23-22(24,25)13-5-6-16-14(10-13)28-20(26-7-3-9-34-19-4-1-2-8-33-19)21-27-12-17(31(16)21)15-11-18(32)30-29-15/h5-6,10-12,19H,1-4,7-9H2,(H,26,28)(H2,29,30,32).
What are the key properties of 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one?
5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 476.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 59333313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).