(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

C18H19F3N4O2 — CID 155539384

IUPAC(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nccn2c(-c3cccc(OC(F)(F)F)c3)cnc12
InChIInChI=1S/C18H19F3N4O2/c1-11(2)14(10-26)24-16-17-23-9-15(25(17)7-6-22-16)12-4-3-5-13(8-12)27-18(19,20)21/h3-9,11,14,26H,10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyNRAULLISCQEJSZ-CQSZACIVSA-N
MW380.37 g/mol
LogP3.72
Rot. Bonds6

About (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (PubChem CID 155539384) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
PubChem CID155539384
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nccn2c(-c3cccc(OC(F)(F)F)c3)cnc12
InChIInChI=1S/C18H19F3N4O2/c1-11(2)14(10-26)24-16-17-23-9-15(25(17)7-6-22-16)12-4-3-5-13(8-12)27-18(19,20)21/h3-9,11,14,26H,10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyNRAULLISCQEJSZ-CQSZACIVSA-N
XLogP3.72
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (CID 155539384) is (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is CC(C)[C@@H](CO)Nc1nccn2c(-c3cccc(OC(F)(F)F)c3)cnc12.
What is the InChIKey of (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
The InChIKey is NRAULLISCQEJSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11(2)14(10-26)24-16-17-23-9-15(25(17)7-6-22-16)12-4-3-5-13(8-12)27-18(19,20)21/h3-9,11,14,26H,10H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?
(2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol has a molecular weight of 380.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is sourced from PubChem (CID 155539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).