N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid

C18H19F5N4O3S — CID 155833436

IUPACN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18F2N4OS.C2HF3O2/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14;3-2(4,5)1(6)7/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23);(H,6,7)
InChIKeyYBLOEQWJSLZGES-UHFFFAOYSA-N
MW466.43 g/mol
LogP3.05
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid

N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833436) has the molecular formula C18H19F5N4O3S and a molecular weight of 466.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833436
Molecular FormulaC18H19F5N4O3S
Molecular Weight466.43 g/mol
Exact Mass466.11
IUPAC NameN-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18F2N4OS.C2HF3O2/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14;3-2(4,5)1(6)7/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23);(H,6,7)
InChIKeyYBLOEQWJSLZGES-UHFFFAOYSA-N
XLogP3.05
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743367
N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743366
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118744052
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745011
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745921
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746407
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747085
(5S)-N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124236181
(5R)-N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124236182
N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131644537
(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 133144302
2-(pyrrolidin-1-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155825760

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid (CID 155833436) is N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC(F)(F)C1)C1CN(Cc2ccsc2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YBLOEQWJSLZGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS.C2HF3O2/c17-16(18)3-12(4-16)20-15(23)14-8-21(6-11-1-2-24-9-11)7-13-5-19-10-22(13)14;3-2(4,5)1(6)7/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,20,23);(H,6,7).
What are the key properties of N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 466.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).