methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate

C19H16N4O3 — CID 136882346

IUPACmethyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)16-9-5-8-15(21-16)13-10-17(24)22-18-14(13)11-20-23(18)12-6-3-2-4-7-12/h2-9,11,13H,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPYOYASLSCMBHJE-ZDUSSCGKSA-N
MW348.36 g/mol
LogP2.53
Rot. Bonds3

About methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate

methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate (PubChem CID 136882346) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
PubChem CID136882346
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namemethyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3/c1-26-19(25)16-9-5-8-15(21-16)13-10-17(24)22-18-14(13)11-20-23(18)12-6-3-2-4-7-12/h2-9,11,13H,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPYOYASLSCMBHJE-ZDUSSCGKSA-N
XLogP2.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

4-(6-methoxy-2-pyridinyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171914935
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
methyl 4-[(4R)-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136833577
(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136713787
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
(4R)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820642
1-(cyclopropylmethyl)-4-(6-methoxy-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170502065

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate (CID 136882346) is methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate?
The InChIKey is PYOYASLSCMBHJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-19(25)16-9-5-8-15(21-16)13-10-17(24)22-18-14(13)11-20-23(18)12-6-3-2-4-7-12/h2-9,11,13H,10H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate?
methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 136882346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).