N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide

C16H12FN5O — CID 24805140

IUPACN-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2ccnc3c(C#N)cnn23)ccc1F
InChIInChI=1S/C16H12FN5O/c1-10(23)21(2)15-7-11(3-4-13(15)17)14-5-6-19-16-12(8-18)9-20-22(14)16/h3-7,9H,1-2H3
InChIKeyHBFYPIRHUFDHCD-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.39
Rot. Bonds2

About N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide

N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide (PubChem CID 24805140) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
PubChem CID24805140
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC NameN-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2ccnc3c(C#N)cnn23)ccc1F
InChIInChI=1S/C16H12FN5O/c1-10(23)21(2)15-7-11(3-4-13(15)17)14-5-6-19-16-12(8-18)9-20-22(14)16/h3-7,9H,1-2H3
InChIKeyHBFYPIRHUFDHCD-UHFFFAOYSA-N
XLogP2.39
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide?
The IUPAC name of N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide (CID 24805140) is N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide.
What is the SMILES notation for N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide?
The canonical SMILES for N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide is CC(=O)N(C)c1cc(-c2ccnc3c(C#N)cnn23)ccc1F.
What is the InChIKey of N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide?
The InChIKey is HBFYPIRHUFDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c1-10(23)21(2)15-7-11(3-4-13(15)17)14-5-6-19-16-12(8-18)9-20-22(14)16/h3-7,9H,1-2H3.
What are the key properties of N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide?
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide has a molecular weight of 309.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide is sourced from PubChem (CID 24805140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).