3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C27H30F3N5O2 — CID 71580949

IUPAC3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCc1nc(C(N)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30F3N5O2/c1-3-21-33-22(25(31)36)24-20(14-11-17-9-12-19(13-10-17)27(28,29)30)34(15-16-35(21)24)23(26(37)32-2)18-7-5-4-6-8-18/h4-10,12-13,20,23H,3,11,14-16H2,1-2H3,(H2,31,36)(H,32,37)/t20?,23-/m1/s1
InChIKeyMBGJCHYJWNDLDU-GWQXNCQPSA-N
MW513.56 g/mol
LogP4.04
Rot. Bonds8

About 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 71580949) has the molecular formula C27H30F3N5O2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID71580949
Molecular FormulaC27H30F3N5O2
Molecular Weight513.56 g/mol
Exact Mass513.24
IUPAC Name3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCc1nc(C(N)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30F3N5O2/c1-3-21-33-22(25(31)36)24-20(14-11-17-9-12-19(13-10-17)27(28,29)30)34(15-16-35(21)24)23(26(37)32-2)18-7-5-4-6-8-18/h4-10,12-13,20,23H,3,11,14-16H2,1-2H3,(H2,31,36)(H,32,37)/t20?,23-/m1/s1
InChIKeyMBGJCHYJWNDLDU-GWQXNCQPSA-N
XLogP4.04
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-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 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 71580949) is 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CCc1nc(C(N)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is MBGJCHYJWNDLDU-GWQXNCQPSA-N. The full InChI is InChI=1S/C27H30F3N5O2/c1-3-21-33-22(25(31)36)24-20(14-11-17-9-12-19(13-10-17)27(28,29)30)34(15-16-35(21)24)23(26(37)32-2)18-7-5-4-6-8-18/h4-10,12-13,20,23H,3,11,14-16H2,1-2H3,(H2,31,36)(H,32,37)/t20?,23-/m1/s1.
What are the key properties of 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 71580949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).