5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C16H16N4O3 — CID 2445448

IUPAC5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(C)=O)cc1Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C16H16N4O3/c1-10(21)11-4-5-14(23-3)12(6-11)8-20-9-17-15-13(16(20)22)7-18-19(15)2/h4-7,9H,8H2,1-3H3
InChIKeyBFAXUWDHEVBAFC-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.39
Rot. Bonds4

About 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2445448) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2445448
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(C)=O)cc1Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C16H16N4O3/c1-10(21)11-4-5-14(23-3)12(6-11)8-20-9-17-15-13(16(20)22)7-18-19(15)2/h4-7,9H,8H2,1-3H3
InChIKeyBFAXUWDHEVBAFC-UHFFFAOYSA-N
XLogP1.39
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7886220
5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17408906
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 163355192
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559629
N-[(2,3-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55583480
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595330
methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate
CID 167901085
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 42391287
5-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 55397227

Frequently Asked Questions

What is the IUPAC name of 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 2445448) is 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(C(C)=O)cc1Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BFAXUWDHEVBAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(21)11-4-5-14(23-3)12(6-11)8-20-9-17-15-13(16(20)22)7-18-19(15)2/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 312.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2445448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).