2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone

C19H14F3N3O2S — CID 25023802

IUPAC2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyAZTSYZUNKYTXOA-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.01
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone (PubChem CID 25023802) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone
PubChem CID25023802
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyAZTSYZUNKYTXOA-UHFFFAOYSA-N
XLogP4.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-Trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-A]pyrazin-7(8H)-YL)carbonyl]thiophen-2-YL}ethane-1,1-diol
CID 24836810
N-hydroxy-5-((3-phenyl-5,6-dihydroimidazo(1,2-a)pyrazin-7(8H)-yl)carbonyl)thiophene-2-carboxamide
CID 24836811
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
Methanone, [5-(1-methyl-1H-benzimidazol-2-yl)-2-thienyl]phenyl-
CID 874018
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
4-[[5-[(E)-3-amino-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butylimidazol-1-yl]methyl]benzamide
CID 14952885
5-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-thiophene-2-carbaldehyde
CID 57329791
7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 58465842
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
US9776991, Example 15
CID 118112602

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone (CID 25023802) is 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone is O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is AZTSYZUNKYTXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 405.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 25023802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).