3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H19N5O — CID 169414021

IUPAC3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2ccn[nH]2)c1
InChIInChI=1S/C18H19N5O/c1-11-4-3-5-13(8-11)10-23-18-17(12(2)22-23)14(9-16(24)20-18)15-6-7-19-21-15/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyNEOSZVOHLBCFET-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds3

About 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169414021) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169414021
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2ccn[nH]2)c1
InChIInChI=1S/C18H19N5O/c1-11-4-3-5-13(8-11)10-23-18-17(12(2)22-23)14(9-16(24)20-18)15-6-7-19-21-15/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyNEOSZVOHLBCFET-UHFFFAOYSA-N
XLogP2.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-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

3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420895
(4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697980
(4R)-4-(5-acetylthiophen-3-yl)-1-benzyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697855
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871183
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871162
ethyl 2-[(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887666
4-(1,3-benzodioxol-4-yl)-1-[(2-chlorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169421564
(4R)-3-methyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909669
ethyl 2-[4-(3-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632835
(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882321
(4S)-3-methyl-4-(3-methylphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909653
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169414021) is 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2ccn[nH]2)c1.
What is the InChIKey of 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NEOSZVOHLBCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-4-3-5-13(8-11)10-23-18-17(12(2)22-23)14(9-16(24)20-18)15-6-7-19-21-15/h3-8,14H,9-10H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169414021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).