N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide

C15H18F3N5O — CID 120813567

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cn2ccccc2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12(22-7-4-19-5-8-22)9-20-14(24)11-10-23-6-2-1-3-13(23)21-11/h1-3,6,10,12,19H,4-5,7-9H2,(H,20,24)
InChIKeyLIJQBYRJYPHRQK-UHFFFAOYSA-N
MW341.34 g/mol
LogP0.90
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 120813567) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID120813567
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cn2ccccc2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)12(22-7-4-19-5-8-22)9-20-14(24)11-10-23-6-2-1-3-13(23)21-11/h1-3,6,10,12,19H,4-5,7-9H2,(H,20,24)
InChIKeyLIJQBYRJYPHRQK-UHFFFAOYSA-N
XLogP0.90
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 120813567) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cn2ccccc2n1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LIJQBYRJYPHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)12(22-7-4-19-5-8-22)9-20-14(24)11-10-23-6-2-1-3-13(23)21-11/h1-3,6,10,12,19H,4-5,7-9H2,(H,20,24).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 120813567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).