3-ethyl-N,N-dimethyl-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

C29H34F3N5O2 — CID 71579478

IUPAC3-ethyl-N,N-dimethyl-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(=O)N(C)C)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H34F3N5O2/c1-5-23-34-24(28(39)35(3)4)26-22(16-13-19-11-14-21(15-12-19)29(30,31)32)36(17-18-37(23)26)25(27(38)33-2)20-9-7-6-8-10-20/h6-12,14-15,22,25H,5,13,16-18H2,1-4H3,(H,33,38)/t22?,25-/m1/s1
InChIKeyFTTSDWXGOYSXED-NRWPOFLRSA-N
MW541.62 g/mol
LogP4.64
Rot. Bonds8

About 3-ethyl-N,N-dimethyl-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-N,N-dimethyl-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 71579478) has the molecular formula C29H34F3N5O2 and a molecular weight of 541.62 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyl-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-N,N-dimethyl-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 CID71579478
Molecular FormulaC29H34F3N5O2
Molecular Weight541.62 g/mol
Exact Mass541.27
IUPAC Name3-ethyl-N,N-dimethyl-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(=O)N(C)C)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H34F3N5O2/c1-5-23-34-24(28(39)35(3)4)26-22(16-13-19-11-14-21(15-12-19)29(30,31)32)36(17-18-37(23)26)25(27(38)33-2)20-9-7-6-8-10-20/h6-12,14-15,22,25H,5,13,16-18H2,1-4H3,(H,33,38)/t22?,25-/m1/s1
InChIKeyFTTSDWXGOYSXED-NRWPOFLRSA-N
XLogP4.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N,N-dimethyl-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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethyl-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-N,N-dimethyl-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 71579478) is 3-ethyl-N,N-dimethyl-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-N,N-dimethyl-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-N,N-dimethyl-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(=O)N(C)C)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)C2CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-N,N-dimethyl-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 FTTSDWXGOYSXED-NRWPOFLRSA-N. The full InChI is InChI=1S/C29H34F3N5O2/c1-5-23-34-24(28(39)35(3)4)26-22(16-13-19-11-14-21(15-12-19)29(30,31)32)36(17-18-37(23)26)25(27(38)33-2)20-9-7-6-8-10-20/h6-12,14-15,22,25H,5,13,16-18H2,1-4H3,(H,33,38)/t22?,25-/m1/s1.
What are the key properties of 3-ethyl-N,N-dimethyl-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-N,N-dimethyl-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 541.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyl-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 71579478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).