N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C17H17F4N5O2 — CID 166482118

IUPACN-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCN(C)Cc1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2n1CC(=O)NC2
InChIInChI=1S/C17H17F4N5O2/c1-25(2)7-13-23-15(12-6-22-14(27)8-26(12)13)24-16(28)9-3-10(17(19,20)21)5-11(18)4-9/h3-5H,6-8H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyWYJBWZJCNHAVQN-UHFFFAOYSA-N
MW399.35 g/mol
LogP1.98
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166482118) has the molecular formula C17H17F4N5O2 and a molecular weight of 399.35 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166482118
Molecular FormulaC17H17F4N5O2
Molecular Weight399.35 g/mol
Exact Mass399.13
IUPAC NameN-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCN(C)Cc1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2n1CC(=O)NC2
InChIInChI=1S/C17H17F4N5O2/c1-25(2)7-13-23-15(12-6-22-14(27)8-26(12)13)24-16(28)9-3-10(17(19,20)21)5-11(18)4-9/h3-5H,6-8H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyWYJBWZJCNHAVQN-UHFFFAOYSA-N
XLogP1.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
CID 166482997
(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 166482151
N-[8-(2-chloro-5-fluorophenyl)-6-oxo-3-(1H-pyrazol-5-yl)-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176593649
N-[(8R)-8-(2-chloro-5-fluorophenyl)-3-(N'-methylcarbamimidoyl)-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166483002
2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 170896141
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methyl-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide;oxane
CID 166482310
(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
CID 166482552
N-[1-(2-chloro-5-fluorophenyl)-6-(hydroxymethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166482676
(8S)-8-(2-chloro-5-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
CID 166482741
1-(2-chloro-5-fluorophenyl)-8-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-N-(pyridin-4-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166482402
N-(1-cyclohexyl-3-oxo-2H-indazol-7-yl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822040

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166482118) is N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide is CN(C)Cc1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2n1CC(=O)NC2.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is WYJBWZJCNHAVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N5O2/c1-25(2)7-13-23-15(12-6-22-14(27)8-26(12)13)24-16(28)9-3-10(17(19,20)21)5-11(18)4-9/h3-5H,6-8H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 399.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166482118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).