2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one

C26H19N5O2 — CID 53465113

IUPAC2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H19N5O2/c1-31-24(32)26(30-25(31)27)20-12-16(18-4-2-10-28-14-18)6-8-22(20)33-23-9-7-17(13-21(23)26)19-5-3-11-29-15-19/h2-15H,1H3,(H2,27,30)
InChIKeyBXMSMHWFQQRFMZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.95
Rot. Bonds2

About 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one

2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 53465113) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
PubChem CID53465113
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H19N5O2/c1-31-24(32)26(30-25(31)27)20-12-16(18-4-2-10-28-14-18)6-8-22(20)33-23-9-7-17(13-21(23)26)19-5-3-11-29-15-19/h2-15H,1H3,(H2,27,30)
InChIKeyBXMSMHWFQQRFMZ-UHFFFAOYSA-N
XLogP3.95
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one (CID 53465113) is 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one is CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cccnc3)cc12.
What is the InChIKey of 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is BXMSMHWFQQRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-31-24(32)26(30-25(31)27)20-12-16(18-4-2-10-28-14-18)6-8-22(20)33-23-9-7-17(13-21(23)26)19-5-3-11-29-15-19/h2-15H,1H3,(H2,27,30).
What are the key properties of 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one?
2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 433.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 53465113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).