N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide

C15H13F2N5O2 — CID 54587577

IUPACN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12
InChIInChI=1S/C15H13F2N5O2/c1-7(2)14(23)19-12-9-6-18-15(20-13(9)22-21-12)24-11-4-3-8(16)5-10(11)17/h3-7H,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyARMACDTZHMYUNQ-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.02
Rot. Bonds4

About N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide

N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide (PubChem CID 54587577) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide
PubChem CID54587577
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12
InChIInChI=1S/C15H13F2N5O2/c1-7(2)14(23)19-12-9-6-18-15(20-13(9)22-21-12)24-11-4-3-8(16)5-10(11)17/h3-7H,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyARMACDTZHMYUNQ-UHFFFAOYSA-N
XLogP3.02
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide 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-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide (CID 54587577) is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide?
The InChIKey is ARMACDTZHMYUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-7(2)14(23)19-12-9-6-18-15(20-13(9)22-21-12)24-11-4-3-8(16)5-10(11)17/h3-7H,1-2H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide?
N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide has a molecular weight of 333.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 54587577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).