1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

C24H26F3N3O2 — CID 118492005

IUPAC1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCN3C(=O)CCC3C2c2ccccc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O2/c1-15-11-17(13-18(12-15)24(25,26)27)14-28-23(32)30-10-9-29-20(7-8-21(29)31)22(30)19-6-4-3-5-16(19)2/h3-6,11-13,20,22H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyRSNLDTRFVNWGLZ-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.58
Rot. Bonds3

About 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 118492005) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID118492005
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCN3C(=O)CCC3C2c2ccccc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O2/c1-15-11-17(13-18(12-15)24(25,26)27)14-28-23(32)30-10-9-29-20(7-8-21(29)31)22(30)19-6-4-3-5-16(19)2/h3-6,11-13,20,22H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyRSNLDTRFVNWGLZ-UHFFFAOYSA-N
XLogP4.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Orvepitant
CID 9852175
CID 10290124
CID 10290124
NK1 receptor antagonist 2
CID 24969015
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 25027805
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 57402221
CID 72203985
CID 72203985
(3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydroindolizine-3-carboxamide
CID 23646362
(3R,4S)-N3-(3,5-bis(trifluoromethyl)benzyl)-N1-cyclohexyl-N3-methyl-4-phenylpyrrolidine-1,3-dicarboxamide
CID 44433787
(3S,4S)-4-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 57397022
(3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-[2-(methylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 57398785
(3S,4S)-4-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 57403992
(R)-9-propyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11163458

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 118492005) is 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1cc(CNC(=O)N2CCN3C(=O)CCC3C2c2ccccc2C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is RSNLDTRFVNWGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-15-11-17(13-18(12-15)24(25,26)27)14-28-23(32)30-10-9-29-20(7-8-21(29)31)22(30)19-6-4-3-5-16(19)2/h3-6,11-13,20,22H,7-10,14H2,1-2H3,(H,28,32).
What are the key properties of 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 118492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).