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

C19H21N5O — CID 169420895

IUPAC3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2nc[nH]c2C)c1
InChIInChI=1S/C19H21N5O/c1-11-5-4-6-14(7-11)9-24-19-17(12(2)23-24)15(8-16(25)22-19)18-13(3)20-10-21-18/h4-7,10,15H,8-9H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyIWCFTFKKEXKFFN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.05
Rot. Bonds3

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

3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169420895) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169420895
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2nc[nH]c2C)c1
InChIInChI=1S/C19H21N5O/c1-11-5-4-6-14(7-11)9-24-19-17(12(2)23-24)15(8-16(25)22-19)18-13(3)20-10-21-18/h4-7,10,15H,8-9H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyIWCFTFKKEXKFFN-UHFFFAOYSA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169414021
(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
(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
(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
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
1-(6-imino-1-methanimidoylpyridazin-3-yl)-3-methyl-4-[3-[(3-methylphenyl)methoxy]phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 177025741
ethyl 2-[4-(3-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632835
(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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 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) is 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(Cn2nc(C)c3c2NC(=O)CC3c2nc[nH]c2C)c1.
What is the InChIKey of 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IWCFTFKKEXKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-11-5-4-6-14(7-11)9-24-19-17(12(2)23-24)15(8-16(25)22-19)18-13(3)20-10-21-18/h4-7,10,15H,8-9H2,1-3H3,(H,20,21)(H,22,25).
What are the key properties of 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 335.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169420895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).