methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate

C19H23N3O4 — CID 136820562

IUPACmethyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
SMILESCCC(CC)n1ncc2c1NC(=O)C[C@H]2c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C19H23N3O4/c1-4-12(5-2)22-18-15(10-20-22)13(9-17(24)21-18)11-6-7-16(23)14(8-11)19(25)26-3/h6-8,10,12-13,23H,4-5,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyJQBUGYQHMIXXKM-ZDUSSCGKSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate

methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate (PubChem CID 136820562) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
PubChem CID136820562
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
SMILESCCC(CC)n1ncc2c1NC(=O)C[C@H]2c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C19H23N3O4/c1-4-12(5-2)22-18-15(10-20-22)13(9-17(24)21-18)11-6-7-16(23)14(8-11)19(25)26-3/h6-8,10,12-13,23H,4-5,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyJQBUGYQHMIXXKM-ZDUSSCGKSA-N
XLogP3.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate 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-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
CID 171339502
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899638
methyl 4-[(4R)-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136833577
methyl 4-[(4R)-1-(2,5-dimethylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 135959267
4-(1,3-benzothiazol-7-yl)-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169415542
4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
2-[2-methoxy-5-(1-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135632346
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate (CID 136820562) is methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate is CCC(CC)n1ncc2c1NC(=O)C[C@H]2c1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
The InChIKey is JQBUGYQHMIXXKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-12(5-2)22-18-15(10-20-22)13(9-17(24)21-18)11-6-7-16(23)14(8-11)19(25)26-3/h6-8,10,12-13,23H,4-5,9H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate?
methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate is sourced from PubChem (CID 136820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).