1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid

C20H22F3N3O3 — CID 167799951

IUPAC1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCNCC(O)c1cccc(-c2cc(C)c3nc(C)cn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N3O.C2HF3O2/c1-12-7-16(11-21-10-13(2)20-18(12)21)14-5-4-6-15(8-14)17(22)9-19-3;3-2(4,5)1(6)7/h4-8,10-11,17,19,22H,9H2,1-3H3;(H,6,7)
InChIKeyRVIIGEKIKRKUJW-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.50
Rot. Bonds4

About 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid

1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 167799951) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
PubChem CID167799951
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCNCC(O)c1cccc(-c2cc(C)c3nc(C)cn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N3O.C2HF3O2/c1-12-7-16(11-21-10-13(2)20-18(12)21)14-5-4-6-15(8-14)17(22)9-19-3;3-2(4,5)1(6)7/h4-8,10-11,17,19,22H,9H2,1-3H3;(H,6,7)
InChIKeyRVIIGEKIKRKUJW-UHFFFAOYSA-N
XLogP3.50
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063350
2,8-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83967374
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
CID 153383075
1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
CID 117301973
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
1-(4-fluoro-3-phenylphenyl)-2-(methylamino)ethanol
CID 117365234
3-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]-4-methyl-1H-imidazol-2-one
CID 117370641
2-[2-(2-carboxy-3-methylbutan-2-yl)-4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-2,3-dimethylbutanoic acid
CID 175910083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid (CID 167799951) is 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid is CNCC(O)c1cccc(-c2cc(C)c3nc(C)cn3c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is RVIIGEKIKRKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C2HF3O2/c1-12-7-16(11-21-10-13(2)20-18(12)21)14-5-4-6-15(8-14)17(22)9-19-3;3-2(4,5)1(6)7/h4-8,10-11,17,19,22H,9H2,1-3H3;(H,6,7).
What are the key properties of 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 409.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-(methylamino)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167799951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).