(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H16N6O — CID 136737610

IUPAC(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncnc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H16N6O/c1-2-21-15(17-10-19-21)12-8-14(23)20-16-13(12)9-18-22(16)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyVELMOAQXAAVBMN-GFCCVEGCSA-N
MW308.34 g/mol
LogP1.96
Rot. Bonds3

About (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737610) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737610
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncnc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H16N6O/c1-2-21-15(17-10-19-21)12-8-14(23)20-16-13(12)9-18-22(16)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyVELMOAQXAAVBMN-GFCCVEGCSA-N
XLogP1.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one 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

(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
4-(6-methoxy-2-pyridinyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171914935
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
(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
(4R)-1-(4-fluorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833470
methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136882346
(4R)-4-(2-butoxyphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833368
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
(4R)-1-(4-chlorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833288
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (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) is (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCn1ncnc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1.
What is the InChIKey of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VELMOAQXAAVBMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-21-15(17-10-19-21)12-8-14(23)20-16-13(12)9-18-22(16)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 308.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).