2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one

C23H20N4O3 — CID 53492521

IUPAC2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1ccc2c(c1C)Oc1ccc(-c3cccnc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H20N4O3/c1-13-18(29-3)9-7-16-20(13)30-19-8-6-14(15-5-4-10-25-12-15)11-17(19)23(16)21(28)27(2)22(24)26-23/h4-12H,1-3H3,(H2,24,26)
InChIKeyXLFISQGRMDABIL-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.20
Rot. Bonds2

About 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one

2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 53492521) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
PubChem CID53492521
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1ccc2c(c1C)Oc1ccc(-c3cccnc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H20N4O3/c1-13-18(29-3)9-7-16-20(13)30-19-8-6-14(15-5-4-10-25-12-15)11-17(19)23(16)21(28)27(2)22(24)26-23/h4-12H,1-3H3,(H2,24,26)
InChIKeyXLFISQGRMDABIL-UHFFFAOYSA-N
XLogP3.20
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one (CID 53492521) is 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one is COc1ccc2c(c1C)Oc1ccc(-c3cccnc3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is XLFISQGRMDABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-13-18(29-3)9-7-16-20(13)30-19-8-6-14(15-5-4-10-25-12-15)11-17(19)23(16)21(28)27(2)22(24)26-23/h4-12H,1-3H3,(H2,24,26).
What are the key properties of 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 400.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 53492521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).