methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C27H27NO8 — CID 124917815

IUPACmethyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(O)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C27H27NO8/c1-33-23(29)14-19(24-25(30)20(27(32)34-2)15-28-26(24)31)18-5-3-4-6-22(18)36-11-9-16-7-8-21-17(13-16)10-12-35-21/h3-8,13,15,19H,9-12,14H2,1-2H3,(H2,28,30,31)/t19-/m1/s1
InChIKeyXSTKNYWQNOYDPS-LJQANCHMSA-N
MW493.51 g/mol
LogP3.12
Rot. Bonds9

About methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124917815) has the molecular formula C27H27NO8 and a molecular weight of 493.51 g/mol. Its IUPAC name is methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID124917815
Molecular FormulaC27H27NO8
Molecular Weight493.51 g/mol
Exact Mass493.17
IUPAC Namemethyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(O)c(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C27H27NO8/c1-33-23(29)14-19(24-25(30)20(27(32)34-2)15-28-26(24)31)18-5-3-4-6-22(18)36-11-9-16-7-8-21-17(13-16)10-12-35-21/h3-8,13,15,19H,9-12,14H2,1-2H3,(H2,28,30,31)/t19-/m1/s1
InChIKeyXSTKNYWQNOYDPS-LJQANCHMSA-N
XLogP3.12
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(1R)-3-amino-1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917823
methyl 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl]-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
CID 75492258
methyl (3R)-3-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]propanoate
CID 99693652
methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91821071
methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
CID 124850033
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
methyl 5-[3-amino-1-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110208200
methyl (3R)-3-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]-3-(3,4-dimethoxyphenyl)propanoate
CID 97488968
methyl (3R)-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-3-phenylpropanoate
CID 94571944
methyl (3S)-3-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 97488849
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 102564818

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 124917815) is methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(O)c(C(=O)OC)c[nH]c1=O.
What is the InChIKey of methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XSTKNYWQNOYDPS-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27NO8/c1-33-23(29)14-19(24-25(30)20(27(32)34-2)15-28-26(24)31)18-5-3-4-6-22(18)36-11-9-16-7-8-21-17(13-16)10-12-35-21/h3-8,13,15,19H,9-12,14H2,1-2H3,(H2,28,30,31)/t19-/m1/s1.
What are the key properties of methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 493.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124917815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).