7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C21H23F6N5O2 — CID 143827452

IUPAC7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)CC1=C(F)C=C(F)C3C(F)C13)CC2
InChIInChI=1S/C21H23F6N5O2/c1-30(2)19(34)18-13-8-31(3-4-32(13)20(29-18)21(25,26)27)14(33)6-9(28)5-10-11(22)7-12(23)16-15(10)17(16)24/h7,9,15-17H,3-6,8,28H2,1-2H3
InChIKeyMQJCDFMCGXOEHA-UHFFFAOYSA-N
MW491.44 g/mol
LogP2.73
Rot. Bonds5

About 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 143827452) has the molecular formula C21H23F6N5O2 and a molecular weight of 491.44 g/mol. Its IUPAC name is 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID143827452
Molecular FormulaC21H23F6N5O2
Molecular Weight491.44 g/mol
Exact Mass491.18
IUPAC Name7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)CC1=C(F)C=C(F)C3C(F)C13)CC2
InChIInChI=1S/C21H23F6N5O2/c1-30(2)19(34)18-13-8-31(3-4-32(13)20(29-18)21(25,26)27)14(33)6-9(28)5-10-11(22)7-12(23)16-15(10)17(16)24/h7,9,15-17H,3-6,8,28H2,1-2H3
InChIKeyMQJCDFMCGXOEHA-UHFFFAOYSA-N
XLogP2.73
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Related Compounds

7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 44193943
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 44194133
7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 57518430
7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 74947053
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1,1-difluoroethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 132150634
1-acetyl-N-[7-[3-amino-4-(3,4,6-trifluorocyclohexa-2,4-dien-1-yl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
CID 143807469
7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethane
CID 164595511
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-(cyclopropylmethyl)-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 72204800
7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6-(cyclopropylmethyl)-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 72205356
(5E,7E)-3-amino-N-[2-[2-(difluoromethyl)-5-methyl-4-(piperidine-1-carbonyl)imidazol-1-yl]ethyl]-6,8-difluoro-5-[(E)-2-fluoroprop-1-enyl]nona-5,7-dienamide
CID 143827466
N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 146108758
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-methyl-3-(4-methylcyclohexen-1-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 57635109

Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 143827452) is 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)CC1=C(F)C=C(F)C3C(F)C13)CC2.
What is the InChIKey of 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is MQJCDFMCGXOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F6N5O2/c1-30(2)19(34)18-13-8-31(3-4-32(13)20(29-18)21(25,26)27)14(33)6-9(28)5-10-11(22)7-12(23)16-15(10)17(16)24/h7,9,15-17H,3-6,8,28H2,1-2H3.
What are the key properties of 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 491.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 143827452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).