1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C16H18N4O2 — CID 51107868

IUPAC1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ccc(Cn2cnc3c(cnn3C)c2=O)cc1
InChIInChI=1S/C16H18N4O2/c1-11(2)22-13-6-4-12(5-7-13)9-20-10-17-15-14(16(20)21)8-18-19(15)3/h4-8,10-11H,9H2,1-3H3
InChIKeyWSQQKCOLGBQSNQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.97
Rot. Bonds4

About 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 51107868) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID51107868
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ccc(Cn2cnc3c(cnn3C)c2=O)cc1
InChIInChI=1S/C16H18N4O2/c1-11(2)22-13-6-4-12(5-7-13)9-20-10-17-15-14(16(20)21)8-18-19(15)3/h4-8,10-11H,9H2,1-3H3
InChIKeyWSQQKCOLGBQSNQ-UHFFFAOYSA-N
XLogP1.97
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17408906
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 33414342
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63746275
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 163355192
5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 126803622
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 51107868) is 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Oc1ccc(Cn2cnc3c(cnn3C)c2=O)cc1.
What is the InChIKey of 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WSQQKCOLGBQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)22-13-6-4-12(5-7-13)9-20-10-17-15-14(16(20)21)8-18-19(15)3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 51107868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).