N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

C12H12F3N3O2 — CID 141401814

IUPACN-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)CC(F)(F)F)c1cnc2ccccn12
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)5-8(7-19)17-11(20)9-6-16-10-3-1-2-4-18(9)10/h1-4,6,8,19H,5,7H2,(H,17,20)
InChIKeyGZIZZERSJPVKSW-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.38
Rot. Bonds4

About N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 141401814) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID141401814
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameN-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)CC(F)(F)F)c1cnc2ccccn12
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)5-8(7-19)17-11(20)9-6-16-10-3-1-2-4-18(9)10/h1-4,6,8,19H,5,7H2,(H,17,20)
InChIKeyGZIZZERSJPVKSW-UHFFFAOYSA-N
XLogP1.38
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282883
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471977
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 67261310
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
N-(4-ethylcyclohexyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 136582264
N-(2,2-dimethoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126471069
N-[(R)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97321279
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
2,2-difluoro-1-imidazo[1,2-a]pyridin-3-yl-2-pyridin-2-ylsulfanylethanone
CID 11266716

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 141401814) is N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC(CO)CC(F)(F)F)c1cnc2ccccn12.
What is the InChIKey of N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GZIZZERSJPVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)5-8(7-19)17-11(20)9-6-16-10-3-1-2-4-18(9)10/h1-4,6,8,19H,5,7H2,(H,17,20).
What are the key properties of N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 141401814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).