(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C28H24N2O6 — CID 97424728

IUPAC(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@H](c2cccnc2N2CCCCC2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C28H24N2O6/c31-17-8-6-16(7-9-17)20-15-35-27-24-19(13-23(33)36-22(24)14-21(32)25(27)26(20)34)18-5-4-10-29-28(18)30-11-2-1-3-12-30/h4-10,14-15,19,31-32H,1-3,11-13H2/t19-/m1/s1
InChIKeyIJIXIINKRSNEGF-LJQANCHMSA-N
MW484.51 g/mol
LogP4.70
Rot. Bonds3

About (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424728) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97424728
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC Name(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@H](c2cccnc2N2CCCCC2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C28H24N2O6/c31-17-8-6-16(7-9-17)20-15-35-27-24-19(13-23(33)36-22(24)14-21(32)25(27)26(20)34)18-5-4-10-29-28(18)30-11-2-1-3-12-30/h4-10,14-15,19,31-32H,1-3,11-13H2/t19-/m1/s1
InChIKeyIJIXIINKRSNEGF-LJQANCHMSA-N
XLogP4.70
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97424728) is (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@H](c2cccnc2N2CCCCC2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1.
What is the InChIKey of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is IJIXIINKRSNEGF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H24N2O6/c31-17-8-6-16(7-9-17)20-15-35-27-24-19(13-23(33)36-22(24)14-21(32)25(27)26(20)34)18-5-4-10-29-28(18)30-11-2-1-3-12-30/h4-10,14-15,19,31-32H,1-3,11-13H2/t19-/m1/s1.
What are the key properties of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 484.51 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).