methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate

C23H22N2O7 — CID 124917794

IUPACmethyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cc2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C23H22N2O7/c1-31-17(26)10-14(18-20(27)16(23(30)32-2)11-24-21(18)28)15-9-13-6-3-5-12-7-4-8-25(19(12)13)22(15)29/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,24,27,28)/t14-/m1/s1
InChIKeyWCVKBCCKOIZOLY-CQSZACIVSA-N
MW438.44 g/mol
LogP1.82
Rot. Bonds5

About methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate

methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124917794) has the molecular formula C23H22N2O7 and a molecular weight of 438.44 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate
PubChem CID124917794
Molecular FormulaC23H22N2O7
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Namemethyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cc2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C23H22N2O7/c1-31-17(26)10-14(18-20(27)16(23(30)32-2)11-24-21(18)28)15-9-13-6-3-5-12-7-4-8-25(19(12)13)22(15)29/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,24,27,28)/t14-/m1/s1
InChIKeyWCVKBCCKOIZOLY-CQSZACIVSA-N
XLogP1.82
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoate
CID 102565158
methyl (3R)-3-[3-acetyl-2,6-dihydroxy-5-[(1S)-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl]phenyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoate
CID 125429600
methyl 3-(6,7-dihydroxy-4-methyl-2-oxochromen-8-yl)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)propanoate
CID 146048875
methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91821071
methyl (3R)-3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)propanoate
CID 97424937
ethyl (3R)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoate
CID 95389778
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
methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
CID 124850033
methyl 5-[1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 102564931
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 102565052
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 102564818
methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917716

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate (CID 124917794) is methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate is COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cc2cccc3c2n(c1=O)CCC3.
What is the InChIKey of methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WCVKBCCKOIZOLY-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22N2O7/c1-31-17(26)10-14(18-20(27)16(23(30)32-2)11-24-21(18)28)15-9-13-6-3-5-12-7-4-8-25(19(12)13)22(15)29/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,24,27,28)/t14-/m1/s1.
What are the key properties of methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate?
methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 438.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-[(1R)-3-methoxy-3-oxo-1-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124917794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).