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

C25H26ClF3N4O — CID 71579479

IUPAC(2R)-2-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1
InChIKeyMRQQWLZUOSXYEW-LEWJYISDSA-N
MW490.96 g/mol
LogP5.34
Rot. Bonds6

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

(2R)-2-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 71579479) has the molecular formula C25H26ClF3N4O and a molecular weight of 490.96 g/mol. Its IUPAC name is (2R)-2-[(8S)-1-chloro-3-methyl-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-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID71579479
Molecular FormulaC25H26ClF3N4O
Molecular Weight490.96 g/mol
Exact Mass490.17
IUPAC Name(2R)-2-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1
InChIKeyMRQQWLZUOSXYEW-LEWJYISDSA-N
XLogP5.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.96
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(8S)-1-chloro-3-methyl-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-[(8S)-1-chloro-3-methyl-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-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 71579479) is (2R)-2-[(8S)-1-chloro-3-methyl-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-[(8S)-1-chloro-3-methyl-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-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](c1ccccc1)N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is MRQQWLZUOSXYEW-LEWJYISDSA-N. The full InChI is InChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1.
What are the key properties of (2R)-2-[(8S)-1-chloro-3-methyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[(8S)-1-chloro-3-methyl-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 490.96 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8S)-1-chloro-3-methyl-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 71579479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).