N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C20H24FN5 — CID 56889920

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1
InChIInChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3
InChIKeyYQAQXNLKZMHUBE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56889920) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56889920
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1
InChIInChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3
InChIKeyYQAQXNLKZMHUBE-UHFFFAOYSA-N
XLogP3.56
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine 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-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56889920) is N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQAQXNLKZMHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56889920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).