(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine

C17H16F3N5 — CID 70324616

IUPAC(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESNC1CN(c2ccn3nccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10-,15?/m1/s1
InChIKeyMZTFLTHGIZEHLG-INHVJJQHSA-N
MW347.34 g/mol
LogP2.47
Rot. Bonds2

About (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine

(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine (PubChem CID 70324616) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
PubChem CID70324616
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESNC1CN(c2ccn3nccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10-,15?/m1/s1
InChIKeyMZTFLTHGIZEHLG-INHVJJQHSA-N
XLogP2.47
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-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 (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The IUPAC name of (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CID 70324616) is (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine.
What is the SMILES notation for (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The canonical SMILES for (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine is NC1CN(c2ccn3nccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F.
What is the InChIKey of (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The InChIKey is MZTFLTHGIZEHLG-INHVJJQHSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10-,15?/m1/s1.
What are the key properties of (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
(4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine has a molecular weight of 347.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine is sourced from PubChem (CID 70324616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).