pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone

C18H15F3N4O — CID 134795430

IUPACpyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone
SMILESO=C(c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12)N1CCCC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)13-5-3-4-12(10-13)15-14-11-22-6-9-25(14)16(23-15)17(26)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8H2
InChIKeyFMSXDBHDMREKLF-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.65
Rot. Bonds2

About pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone

pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone (PubChem CID 134795430) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone
PubChem CID134795430
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Namepyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone
SMILESO=C(c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12)N1CCCC1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)13-5-3-4-12(10-13)15-14-11-22-6-9-25(14)16(23-15)17(26)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8H2
InChIKeyFMSXDBHDMREKLF-UHFFFAOYSA-N
XLogP3.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
Imidazopyridine 18a
CID 5329351
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
CID 54754557
US9605005, Example 77
CID 117912488
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 20868679
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
CID 20868681
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 3244105
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
5-[(2,6-Difluorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10018969

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone (CID 134795430) is pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone is O=C(c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone?
The InChIKey is FMSXDBHDMREKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)13-5-3-4-12(10-13)15-14-11-22-6-9-25(14)16(23-15)17(26)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8H2.
What are the key properties of pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone?
pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone has a molecular weight of 360.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]methanone is sourced from PubChem (CID 134795430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).