2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid

C18H20F3N3O3S — CID 154890729

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid
SMILESCc1cccc2nc(CN(CCO)Cc3cccs3)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3OS.C2HF3O2/c1-13-4-2-6-16-17-14(11-19(13)16)10-18(7-8-20)12-15-5-3-9-21-15;3-2(4,5)1(6)7/h2-6,9,11,20H,7-8,10,12H2,1H3;(H,6,7)
InChIKeyYXYNJPLIIKTIGW-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.33
Rot. Bonds6

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 154890729) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid
PubChem CID154890729
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid
SMILESCc1cccc2nc(CN(CCO)Cc3cccs3)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3OS.C2HF3O2/c1-13-4-2-6-16-17-14(11-19(13)16)10-18(7-8-20)12-15-5-3-9-21-15;3-2(4,5)1(6)7/h2-6,9,11,20H,7-8,10,12H2,1H3;(H,6,7)
InChIKeyYXYNJPLIIKTIGW-UHFFFAOYSA-N
XLogP3.33
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid (CID 154890729) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid is Cc1cccc2nc(CN(CCO)Cc3cccs3)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is YXYNJPLIIKTIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.C2HF3O2/c1-13-4-2-6-16-17-14(11-19(13)16)10-18(7-8-20)12-15-5-3-9-21-15;3-2(4,5)1(6)7/h2-6,9,11,20H,7-8,10,12H2,1H3;(H,6,7).
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 415.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl-(thiophen-2-ylmethyl)amino]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154890729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).