5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

C21H22F3N5O — CID 162650764

IUPAC5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)18-4-2-1-3-14(18)13-30-19-9-15(10-27-20(19)25)16-11-28-29(12-16)17-5-7-26-8-6-17/h1-4,9-12,17,26H,5-8,13H2,(H2,25,27)
InChIKeyJMUPDWJGZLBCCS-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.05
Rot. Bonds5

About 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (PubChem CID 162650764) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
PubChem CID162650764
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)18-4-2-1-3-14(18)13-30-19-9-15(10-27-20(19)25)16-11-28-29(12-16)17-5-7-26-8-6-17/h1-4,9-12,17,26H,5-8,13H2,(H2,25,27)
InChIKeyJMUPDWJGZLBCCS-UHFFFAOYSA-N
XLogP4.05
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Analyze 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-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-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (CID 162650764) is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.
What is the SMILES notation for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The canonical SMILES for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The InChIKey is JMUPDWJGZLBCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-21(23,24)18-4-2-1-3-14(18)13-30-19-9-15(10-27-20(19)25)16-11-28-29(12-16)17-5-7-26-8-6-17/h1-4,9-12,17,26H,5-8,13H2,(H2,25,27).
What are the key properties of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine has a molecular weight of 417.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is sourced from PubChem (CID 162650764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).