(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C18H19N5O — CID 136907611

IUPAC(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1nccn1C
InChIInChI=1S/C18H19N5O/c1-12-16-14(18-19-8-9-22(18)2)10-15(24)20-17(16)21-23(12)11-13-6-4-3-5-7-13/h3-9,14H,10-11H2,1-2H3,(H,20,21,24)/t14-/m1/s1
InChIKeyMDWZGLYLVGBHCE-CQSZACIVSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds3

About (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136907611) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136907611
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1nccn1C
InChIInChI=1S/C18H19N5O/c1-12-16-14(18-19-8-9-22(18)2)10-15(24)20-17(16)21-23(12)11-13-6-4-3-5-7-13/h3-9,14H,10-11H2,1-2H3,(H,20,21,24)/t14-/m1/s1
InChIKeyMDWZGLYLVGBHCE-CQSZACIVSA-N
XLogP2.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(4R)-3-methyl-2-propyl-4-quinolin-8-yl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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4-(5-chloro-2-pyridinyl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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(4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136737658
2-benzyl-4-(2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169417150
3-[4-(3-benzyl-10-oxo-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-12-yl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 121240804
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4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
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3-(3,5-dibenzylimidazol-4-yl)pyrrolidine-2,5-dione
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(4R)-4-(5-acetylthiophen-3-yl)-1-benzyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
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[4-[(4S)-2-ethyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2,6-dimethylphenyl] acetate
CID 136713782

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 136907611) is (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1nccn1C.
What is the InChIKey of (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is MDWZGLYLVGBHCE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-16-14(18-19-8-9-22(18)2)10-15(24)20-17(16)21-23(12)11-13-6-4-3-5-7-13/h3-9,14H,10-11H2,1-2H3,(H,20,21,24)/t14-/m1/s1.
What are the key properties of (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136907611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).