methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate

C20H21N3O5 — CID 95859314

IUPACmethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)C[C@@H](c1cn[nH]c1-c1ccc(OC)cc1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C20H21N3O5/c1-11-8-16(24)18(20(26)22-11)14(9-17(25)28-3)15-10-21-23-19(15)12-4-6-13(27-2)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,21,23)(H2,22,24,26)/t14-/m0/s1
InChIKeyNZKWXTYDUFIKEK-AWEZNQCLSA-N
MW383.40 g/mol
LogP2.48
Rot. Bonds6

About methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate

methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate (PubChem CID 95859314) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
PubChem CID95859314
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
SMILESCOC(=O)C[C@@H](c1cn[nH]c1-c1ccc(OC)cc1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C20H21N3O5/c1-11-8-16(24)18(20(26)22-11)14(9-17(25)28-3)15-10-21-23-19(15)12-4-6-13(27-2)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,21,23)(H2,22,24,26)/t14-/m0/s1
InChIKeyNZKWXTYDUFIKEK-AWEZNQCLSA-N
XLogP2.48
TPSA117.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-3-[1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
CID 124879983
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230
methyl (3R)-3-[1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-3-(5-phenyl-1H-pyrazol-4-yl)propanoate
CID 124876131
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
CID 95860341
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[2-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95860068
methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(5-phenyl-1H-pyrazol-4-yl)propanoate
CID 127254461
3-[5-[(1R)-1-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-methoxy-3-oxopropyl]furan-2-yl]benzoic acid
CID 95860212
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 75491361
methyl (3R)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 98885073
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
CID 71692099
ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 95859408

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate?
The IUPAC name of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate (CID 95859314) is methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate?
The canonical SMILES for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate is COC(=O)C[C@@H](c1cn[nH]c1-c1ccc(OC)cc1)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate?
The InChIKey is NZKWXTYDUFIKEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11-8-16(24)18(20(26)22-11)14(9-17(25)28-3)15-10-21-23-19(15)12-4-6-13(27-2)7-5-12/h4-8,10,14H,9H2,1-3H3,(H,21,23)(H2,22,24,26)/t14-/m0/s1.
What are the key properties of methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate?
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate has a molecular weight of 383.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate is sourced from PubChem (CID 95859314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).