methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate

C17H19N5O3 — CID 137264966

IUPACmethyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-11(16(24)25-3)10-21(2)17-19-14-13(15(23)20-17)9-18-22(14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,23)
InChIKeyCXPJOOMJKQKEAK-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate

methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate (PubChem CID 137264966) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate
PubChem CID137264966
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Namemethyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-11(16(24)25-3)10-21(2)17-19-14-13(15(23)20-17)9-18-22(14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,23)
InChIKeyCXPJOOMJKQKEAK-UHFFFAOYSA-N
XLogP1.35
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991265
6-[methyl(2-phenylethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274998
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
ethyl (2R)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoate
CID 136801862
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263176
6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275526
(2R)-N,N-dimethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 135585171
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135733150
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-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269912

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate (CID 137264966) is methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate is COC(=O)C(C)CN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate?
The InChIKey is CXPJOOMJKQKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(16(24)25-3)10-21(2)17-19-14-13(15(23)20-17)9-18-22(14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,23).
What are the key properties of methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate?
methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate has a molecular weight of 341.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate is sourced from PubChem (CID 137264966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).