N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine

C24H25N7 — CID 89176610

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCNCC3)n3nc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C24H25N7/c1-18-6-5-7-19(14-18)17-26-28-22-16-24(30-12-10-25-11-13-30)31-23(27-22)15-21(29-31)20-8-3-2-4-9-20/h2-9,14-17,25H,10-13H2,1H3,(H,27,28)/b26-17+
InChIKeyDFOZAEAYLDXTLD-YZSQISJMSA-N
MW411.51 g/mol
LogP3.56
Rot. Bonds5

About N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 89176610) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID89176610
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCNCC3)n3nc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C24H25N7/c1-18-6-5-7-19(14-18)17-26-28-22-16-24(30-12-10-25-11-13-30)31-23(27-22)15-21(29-31)20-8-3-2-4-9-20/h2-9,14-17,25H,10-13H2,1H3,(H,27,28)/b26-17+
InChIKeyDFOZAEAYLDXTLD-YZSQISJMSA-N
XLogP3.56
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 89176610) is N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1cccc(/C=N/Nc2cc(N3CCNCC3)n3nc(-c4ccccc4)cc3n2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DFOZAEAYLDXTLD-YZSQISJMSA-N. The full InChI is InChI=1S/C24H25N7/c1-18-6-5-7-19(14-18)17-26-28-22-16-24(30-12-10-25-11-13-30)31-23(27-22)15-21(29-31)20-8-3-2-4-9-20/h2-9,14-17,25H,10-13H2,1H3,(H,27,28)/b26-17+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 411.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 89176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).