N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

C17H23F3N6O — CID 49431472

IUPACN-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C17H23F3N6O/c1-3-5-11(2)23-15(27)12-6-4-7-25(9-12)14-8-13(17(18,19)20)24-16-21-10-22-26(14)16/h8,10-12H,3-7,9H2,1-2H3,(H,23,27)
InChIKeyCKQDJPYENASILU-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.66
Rot. Bonds5

About N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (PubChem CID 49431472) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
PubChem CID49431472
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC NameN-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C17H23F3N6O/c1-3-5-11(2)23-15(27)12-6-4-7-25(9-12)14-8-13(17(18,19)20)24-16-21-10-22-26(14)16/h8,10-12H,3-7,9H2,1-2H3,(H,23,27)
InChIKeyCKQDJPYENASILU-UHFFFAOYSA-N
XLogP2.66
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (CID 49431472) is N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The InChIKey is CKQDJPYENASILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-3-5-11(2)23-15(27)12-6-4-7-25(9-12)14-8-13(17(18,19)20)24-16-21-10-22-26(14)16/h8,10-12H,3-7,9H2,1-2H3,(H,23,27).
What are the key properties of N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is sourced from PubChem (CID 49431472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).