2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one

C23H17F3N4O4 — CID 53492524

IUPAC2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2cc(OC(F)(F)F)ccc2O3)c1
InChIInChI=1S/C23H17F3N4O4/c1-30-20(31)22(29-21(30)27)16-8-12(13-7-15(32-2)11-28-10-13)3-5-18(16)33-19-6-4-14(9-17(19)22)34-23(24,25)26/h3-11H,1-2H3,(H2,27,29)
InChIKeyMYGCXMYZLHEZFI-UHFFFAOYSA-N
MW470.41 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one

2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 53492524) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one
PubChem CID53492524
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC Name2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2cc(OC(F)(F)F)ccc2O3)c1
InChIInChI=1S/C23H17F3N4O4/c1-30-20(31)22(29-21(30)27)16-8-12(13-7-15(32-2)11-28-10-13)3-5-18(16)33-19-6-4-14(9-17(19)22)34-23(24,25)26/h3-11H,1-2H3,(H2,27,29)
InChIKeyMYGCXMYZLHEZFI-UHFFFAOYSA-N
XLogP3.79
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one (CID 53492524) is 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one is COc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2cc(OC(F)(F)F)ccc2O3)c1.
What is the InChIKey of 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is MYGCXMYZLHEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c1-30-20(31)22(29-21(30)27)16-8-12(13-7-15(32-2)11-28-10-13)3-5-18(16)33-19-6-4-14(9-17(19)22)34-23(24,25)26/h3-11H,1-2H3,(H2,27,29).
What are the key properties of 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one?
2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 470.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 53492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).