2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol

C17H16F3N3O — CID 109380311

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
SMILESCc1ccc2ncc(CNC(CO)c3cc(F)c(F)c(F)c3)n2c1
InChIInChI=1S/C17H16F3N3O/c1-10-2-3-16-22-7-12(23(16)8-10)6-21-15(9-24)11-4-13(18)17(20)14(19)5-11/h2-5,7-8,15,21,24H,6,9H2,1H3
InChIKeyGUEYIMSBWNKIGQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.88
Rot. Bonds5

About 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol

2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol (PubChem CID 109380311) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
PubChem CID109380311
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
SMILESCc1ccc2ncc(CNC(CO)c3cc(F)c(F)c(F)c3)n2c1
InChIInChI=1S/C17H16F3N3O/c1-10-2-3-16-22-7-12(23(16)8-10)6-21-15(9-24)11-4-13(18)17(20)14(19)5-11/h2-5,7-8,15,21,24H,6,9H2,1H3
InChIKeyGUEYIMSBWNKIGQ-UHFFFAOYSA-N
XLogP2.88
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115747139
(2R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103884204
(2S)-2-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]propan-1-ol
CID 103773842
2-[[[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]amino]methyl]phenol
CID 109380236
2,2,4-trimethyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-3-ol
CID 109380142
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380215
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380212
2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylpentan-1-ol
CID 111466426
2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380288
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
4-[(dimethylamino)methyl]-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-2-amine
CID 86782883
2-methoxy-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pyridine-3-carboxamide
CID 75447144

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol (CID 109380311) is 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol is Cc1ccc2ncc(CNC(CO)c3cc(F)c(F)c(F)c3)n2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is GUEYIMSBWNKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-10-2-3-16-22-7-12(23(16)8-10)6-21-15(9-24)11-4-13(18)17(20)14(19)5-11/h2-5,7-8,15,21,24H,6,9H2,1H3.
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol?
2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 335.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 109380311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).