N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C17H14F3N3O2 — CID 95618106

IUPACN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc2nccn2c1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)14(24)9-22-16(25)11-5-6-15-21-7-8-23(15)10-11/h1-8,10,14,24H,9H2,(H,22,25)/t14-/m1/s1
InChIKeyNIKHFHFYOPKHKG-CQSZACIVSA-N
MW349.31 g/mol
LogP2.82
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 95618106) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID95618106
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc2nccn2c1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)14(24)9-22-16(25)11-5-6-15-21-7-8-23(15)10-11/h1-8,10,14,24H,9H2,(H,22,25)/t14-/m1/s1
InChIKeyNIKHFHFYOPKHKG-CQSZACIVSA-N
XLogP2.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
4-[4-[[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]benzamide
CID 56565950
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
N-[2-(3-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704025
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97123742

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 95618106) is N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc2nccn2c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NIKHFHFYOPKHKG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)14(24)9-22-16(25)11-5-6-15-21-7-8-23(15)10-11/h1-8,10,14,24H,9H2,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 95618106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).