N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H23FN6 — CID 95895615

IUPACN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(C)[C@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C19H23FN6/c1-24-9-10-25(2)14(13-24)12-21-19-11-17(15-5-3-4-6-16(15)20)23-18-7-8-22-26(18)19/h3-8,11,14,21H,9-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyFGLZCJVOPQXNSW-CQSZACIVSA-N
MW354.43 g/mol
LogP2.19
Rot. Bonds4

About N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95895615) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95895615
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC NameN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(C)[C@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1
InChIInChI=1S/C19H23FN6/c1-24-9-10-25(2)14(13-24)12-21-19-11-17(15-5-3-4-6-16(15)20)23-18-7-8-22-26(18)19/h3-8,11,14,21H,9-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyFGLZCJVOPQXNSW-CQSZACIVSA-N
XLogP2.19
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 95895615) is N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCN(C)[C@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1.
What is the InChIKey of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FGLZCJVOPQXNSW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN6/c1-24-9-10-25(2)14(13-24)12-21-19-11-17(15-5-3-4-6-16(15)20)23-18-7-8-22-26(18)19/h3-8,11,14,21H,9-10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 354.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95895615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).