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

C22H16N2O5 — CID 125429817

IUPAC(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cn1
InChIInChI=1S/C22H16N2O5/c1-24-10-13(9-23-24)14-7-18(26)29-17-8-16(25)20-21(27)15(11-28-22(20)19(14)17)12-5-3-2-4-6-12/h2-6,8-11,14,25H,7H2,1H3/t14-/m1/s1
InChIKeyNQZJQTDYCKICOZ-CQSZACIVSA-N
MW388.38 g/mol
LogP3.34
Rot. Bonds2

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

(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125429817) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID125429817
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cn1
InChIInChI=1S/C22H16N2O5/c1-24-10-13(9-23-24)14-7-18(26)29-17-8-16(25)20-21(27)15(11-28-22(20)19(14)17)12-5-3-2-4-6-12/h2-6,8-11,14,25H,7H2,1H3/t14-/m1/s1
InChIKeyNQZJQTDYCKICOZ-CQSZACIVSA-N
XLogP3.34
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125429817) is (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cn1.
What is the InChIKey of (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is NQZJQTDYCKICOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-24-10-13(9-23-24)14-7-18(26)29-17-8-16(25)20-21(27)15(11-28-22(20)19(14)17)12-5-3-2-4-6-12/h2-6,8-11,14,25H,7H2,1H3/t14-/m1/s1.
What are the key properties of (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 388.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125429817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).