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

C29H26N2O6 — CID 71754508

IUPAC5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2N2CCCCC2)cc1
InChIInChI=1S/C29H26N2O6/c1-35-18-9-7-17(8-10-18)21-16-36-28-25-20(14-24(33)37-23(25)15-22(32)26(28)27(21)34)19-6-5-11-30-29(19)31-12-3-2-4-13-31/h5-11,15-16,20,32H,2-4,12-14H2,1H3
InChIKeyRRYMXPRROAMQOB-UHFFFAOYSA-N
MW498.54 g/mol
LogP5.00
Rot. Bonds4

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

5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71754508) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71754508
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2N2CCCCC2)cc1
InChIInChI=1S/C29H26N2O6/c1-35-18-9-7-17(8-10-18)21-16-36-28-25-20(14-24(33)37-23(25)15-22(32)26(28)27(21)34)19-6-5-11-30-29(19)31-12-3-2-4-13-31/h5-11,15-16,20,32H,2-4,12-14H2,1H3
InChIKeyRRYMXPRROAMQOB-UHFFFAOYSA-N
XLogP5.00
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
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 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71754508) is 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2N2CCCCC2)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is RRYMXPRROAMQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-35-18-9-7-17(8-10-18)21-16-36-28-25-20(14-24(33)37-23(25)15-22(32)26(28)27(21)34)19-6-5-11-30-29(19)31-12-3-2-4-13-31/h5-11,15-16,20,32H,2-4,12-14H2,1H3.
What are the key properties of 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 498.54 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methoxyphenyl)-10-(2-piperidin-1-yl-3-pyridinyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71754508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).