5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H13FN6 — CID 56896235

IUPAC5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1
InChIInChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19)
InChIKeyQRZRAPTZHNAQPQ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.87
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56896235) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56896235
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1
InChIInChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19)
InChIKeyQRZRAPTZHNAQPQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[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 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56896235) is 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QRZRAPTZHNAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-12-4-2-1-3-11(12)13-9-16(20-10-14-18-7-8-19-14)23-15(22-13)5-6-21-23/h1-9,20H,10H2,(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56896235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).