6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H17N5O2 — CID 137276018

IUPAC6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(OCc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H17N5O2/c1-23(26-13-14-8-4-2-5-9-14)19-21-17-16(18(25)22-19)12-20-24(17)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,21,22,25)
InChIKeyFWRCSDZMDYWYLX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.68
Rot. Bonds5

About 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137276018) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137276018
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(OCc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H17N5O2/c1-23(26-13-14-8-4-2-5-9-14)19-21-17-16(18(25)22-19)12-20-24(17)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,21,22,25)
InChIKeyFWRCSDZMDYWYLX-UHFFFAOYSA-N
XLogP2.68
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275526
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-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
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-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135733150
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267481

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137276018) is 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(OCc1ccccc1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FWRCSDZMDYWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-23(26-13-14-8-4-2-5-9-14)19-21-17-16(18(25)22-19)12-20-24(17)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,21,22,25).
What are the key properties of 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 347.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137276018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).