N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C16H17N5O3 — CID 17417269

IUPACN-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C16H17N5O3/c1-10-4-5-13(24-3)12(6-10)19-14(22)8-21-9-17-15-11(16(21)23)7-18-20(15)2/h4-7,9H,8H2,1-3H3,(H,19,22)
InChIKeyQISVZGKVBHOZJG-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.09
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17417269) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17417269
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C16H17N5O3/c1-10-4-5-13(24-3)12(6-10)19-14(22)8-21-9-17-15-11(16(21)23)7-18-20(15)2/h4-7,9H,8H2,1-3H3,(H,19,22)
InChIKeyQISVZGKVBHOZJG-UHFFFAOYSA-N
XLogP1.09
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
CID 135566935
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-4-carboxamide
CID 118557462
2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)acetamide
CID 136087044
N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 136087047
6-[(3-Fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 139413705
N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl]-L-Alaninamide
CID 135566753
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
N-Isopropyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433695
1-Isopropyl-1H-pyrazole-4-carboxylic acid cyclopentylcarbamoylmethyl-(2-methoxy-phenyl)-amide
CID 1445243
5-(4-methoxyphenethyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 2033978
N-(3-Ethoxy-propyl)-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 3227795

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17417269) is N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is QISVZGKVBHOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-4-5-13(24-3)12(6-10)19-14(22)8-21-9-17-15-11(16(21)23)7-18-20(15)2/h4-7,9H,8H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17417269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).