6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H21N7O — CID 137275526

IUPAC6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(Cc1nccn1Cc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H21N7O/c1-28(16-20-24-12-13-29(20)15-17-8-4-2-5-9-17)23-26-21-19(22(31)27-23)14-25-30(21)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,26,27,31)
InChIKeyHSVAIIUWISIVCI-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.99
Rot. Bonds6

About 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275526) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275526
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(Cc1nccn1Cc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H21N7O/c1-28(16-20-24-12-13-29(20)15-17-8-4-2-5-9-17)23-26-21-19(22(31)27-23)14-25-30(21)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,26,27,31)
InChIKeyHSVAIIUWISIVCI-UHFFFAOYSA-N
XLogP2.99
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[methyl(2-phenylethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274998
6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991265
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
6-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate
CID 137264966
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263176
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
N,N-dimethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135697638
6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271123
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266046
6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782
6-benzylsulfanyl-1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135526681

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275526) is 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(Cc1nccn1Cc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HSVAIIUWISIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-28(16-20-24-12-13-29(20)15-17-8-4-2-5-9-17)23-26-21-19(22(31)27-23)14-25-30(21)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,26,27,31).
What are the key properties of 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 411.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).