2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide

C15H14FN5O2 — CID 1433547

IUPAC2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN5O2/c1-19(2)13(22)8-20-9-17-14-12(15(20)23)7-18-21(14)11-5-3-10(16)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyUCUXUCACVSOSBS-UHFFFAOYSA-N
MW315.31 g/mol
LogP0.81
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide

2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (PubChem CID 1433547) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
PubChem CID1433547
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN5O2/c1-19(2)13(22)8-20-9-17-14-12(15(20)23)7-18-21(14)11-5-3-10(16)4-6-11/h3-7,9H,8H2,1-2H3
InChIKeyUCUXUCACVSOSBS-UHFFFAOYSA-N
XLogP0.81
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide 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

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
2-[1-(3,4-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 1088467
5-Amino-6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 940122
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethylphenyl)-5-(2-oxopropyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583
(4-Oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetic acid methyl ester
CID 1433589

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide (CID 1433547) is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
The InChIKey is UCUXUCACVSOSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-19(2)13(22)8-20-9-17-14-12(15(20)23)7-18-21(14)11-5-3-10(16)4-6-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide?
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide has a molecular weight of 315.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 1433547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).