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

C30H34F6N4O3 — CID 71715759

IUPACN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1C1C2CC(CN3CCOCC3)C(=O)N2CCN1C(=O)N(C)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C30H34F6N4O3/c1-19-5-3-4-6-22(19)26-25-16-21(18-38-11-13-43-14-12-38)27(41)39(25)9-10-40(26)28(42)37(2)17-20-7-8-23(29(31,32)33)24(15-20)30(34,35)36/h3-8,15,21,25-26H,9-14,16-18H2,1-2H3
InChIKeyIENZUEJXNQRNQW-UHFFFAOYSA-N
MW612.62 g/mol
LogP5.19
Rot. Bonds5

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

N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 71715759) has the molecular formula C30H34F6N4O3 and a molecular weight of 612.62 g/mol. Its IUPAC name is N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID71715759
Molecular FormulaC30H34F6N4O3
Molecular Weight612.62 g/mol
Exact Mass612.25
IUPAC NameN-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1C1C2CC(CN3CCOCC3)C(=O)N2CCN1C(=O)N(C)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C30H34F6N4O3/c1-19-5-3-4-6-22(19)26-25-16-21(18-38-11-13-43-14-12-38)27(41)39(25)9-10-40(26)28(42)37(2)17-20-7-8-23(29(31,32)33)24(15-20)30(34,35)36/h3-8,15,21,25-26H,9-14,16-18H2,1-2H3
InChIKeyIENZUEJXNQRNQW-UHFFFAOYSA-N
XLogP5.19
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.62
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 71715759) is N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccccc1C1C2CC(CN3CCOCC3)C(=O)N2CCN1C(=O)N(C)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IENZUEJXNQRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F6N4O3/c1-19-5-3-4-6-22(19)26-25-16-21(18-38-11-13-43-14-12-38)27(41)39(25)9-10-40(26)28(42)37(2)17-20-7-8-23(29(31,32)33)24(15-20)30(34,35)36/h3-8,15,21,25-26H,9-14,16-18H2,1-2H3.
What are the key properties of N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 612.62 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylphenyl)-7-(morpholin-4-ylmethyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71715759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).