(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide

C28H33F3N4O — CID 71580773

IUPAC(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(CC)n2c1C(CCc1ccc(C(F)(F)F)cc1)N([C@@H](C(=O)NC)c1ccccc1)CC2
InChIInChI=1S/C28H33F3N4O/c1-4-22-26-23(16-13-19-11-14-21(15-12-19)28(29,30)31)34(17-18-35(26)24(5-2)33-22)25(27(36)32-3)20-9-7-6-8-10-20/h6-12,14-15,23,25H,4-5,13,16-18H2,1-3H3,(H,32,36)/t23?,25-/m1/s1
InChIKeyGAWATXZDBWIYHK-XSWBTSGESA-N
MW498.59 g/mol
LogP5.50
Rot. Bonds8

About (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide

(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 71580773) has the molecular formula C28H33F3N4O and a molecular weight of 498.59 g/mol. Its IUPAC name is (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID71580773
Molecular FormulaC28H33F3N4O
Molecular Weight498.59 g/mol
Exact Mass498.26
IUPAC Name(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(CC)n2c1C(CCc1ccc(C(F)(F)F)cc1)N([C@@H](C(=O)NC)c1ccccc1)CC2
InChIInChI=1S/C28H33F3N4O/c1-4-22-26-23(16-13-19-11-14-21(15-12-19)28(29,30)31)34(17-18-35(26)24(5-2)33-22)25(27(36)32-3)20-9-7-6-8-10-20/h6-12,14-15,23,25H,4-5,13,16-18H2,1-3H3,(H,32,36)/t23?,25-/m1/s1
InChIKeyGAWATXZDBWIYHK-XSWBTSGESA-N
XLogP5.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 71580773) is (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is CCc1nc(CC)n2c1C(CCc1ccc(C(F)(F)F)cc1)N([C@@H](C(=O)NC)c1ccccc1)CC2.
What is the InChIKey of (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is GAWATXZDBWIYHK-XSWBTSGESA-N. The full InChI is InChI=1S/C28H33F3N4O/c1-4-22-26-23(16-13-19-11-14-21(15-12-19)28(29,30)31)34(17-18-35(26)24(5-2)33-22)25(27(36)32-3)20-9-7-6-8-10-20/h6-12,14-15,23,25H,4-5,13,16-18H2,1-3H3,(H,32,36)/t23?,25-/m1/s1.
What are the key properties of (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide has a molecular weight of 498.59 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1,3-diethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 71580773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).