2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C20H21FN6 — CID 3229919

IUPAC2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccc(F)cc3)nn2c(NCCCn2ccnc2)c1C
InChIInChI=1S/C20H21FN6/c1-14-15(2)24-19-12-18(16-4-6-17(21)7-5-16)25-27(19)20(14)23-8-3-10-26-11-9-22-13-26/h4-7,9,11-13,23H,3,8,10H2,1-2H3
InChIKeyXPVCPGYAJLYRGC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3229919) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3229919
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccc(F)cc3)nn2c(NCCCn2ccnc2)c1C
InChIInChI=1S/C20H21FN6/c1-14-15(2)24-19-12-18(16-4-6-17(21)7-5-16)25-27(19)20(14)23-8-3-10-26-11-9-22-13-26/h4-7,9,11-13,23H,3,8,10H2,1-2H3
InChIKeyXPVCPGYAJLYRGC-UHFFFAOYSA-N
XLogP3.85
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3229919) is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3ccc(F)cc3)nn2c(NCCCn2ccnc2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XPVCPGYAJLYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-14-15(2)24-19-12-18(16-4-6-17(21)7-5-16)25-27(19)20(14)23-8-3-10-26-11-9-22-13-26/h4-7,9,11-13,23H,3,8,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3229919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).