(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C26H23NO5 — CID 124878874

IUPAC(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2
InChIInChI=1S/C26H23NO5/c1-16-12-23-25(26(30)27(16)11-10-17-6-8-20(28)9-7-17)21(14-24(29)32-23)19-13-18-4-2-3-5-22(18)31-15-19/h2-9,12-13,21,28H,10-11,14-15H2,1H3/t21-/m0/s1
InChIKeyNQGMVSODIZJIBH-NRFANRHFSA-N
MW429.47 g/mol
LogP3.97
Rot. Bonds4

About (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 124878874) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID124878874
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2
InChIInChI=1S/C26H23NO5/c1-16-12-23-25(26(30)27(16)11-10-17-6-8-20(28)9-7-17)21(14-24(29)32-23)19-13-18-4-2-3-5-22(18)31-15-19/h2-9,12-13,21,28H,10-11,14-15H2,1H3/t21-/m0/s1
InChIKeyNQGMVSODIZJIBH-NRFANRHFSA-N
XLogP3.97
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 99998799
(4R)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 99999817
10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636470
(10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045927
(10S)-10-(2H-chromen-3-yl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123092
10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
CID 91636536
(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879027
(4S)-6,7-dimethyl-4-[2-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431494
methyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
2-amino-6-[2-(3,4-dihydroxyphenyl)ethyl]-7-methyl-5-oxo-4-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888159
(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125431387
(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125432766

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 124878874) is (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2.
What is the InChIKey of (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NQGMVSODIZJIBH-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23NO5/c1-16-12-23-25(26(30)27(16)11-10-17-6-8-20(28)9-7-17)21(14-24(29)32-23)19-13-18-4-2-3-5-22(18)31-15-19/h2-9,12-13,21,28H,10-11,14-15H2,1H3/t21-/m0/s1.
What are the key properties of (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 429.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2H-chromen-3-yl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 124878874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).