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

C26H26ClF5N4O — CID 73356574

IUPAC(2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1
InChIKeyREUSLHRPQIDTIG-PGRDOPGGSA-N
MW540.96 g/mol
LogP5.87
Rot. Bonds7

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

(2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 73356574) has the molecular formula C26H26ClF5N4O and a molecular weight of 540.96 g/mol. Its IUPAC name is (2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID73356574
Molecular FormulaC26H26ClF5N4O
Molecular Weight540.96 g/mol
Exact Mass540.17
IUPAC Name(2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1
InChIKeyREUSLHRPQIDTIG-PGRDOPGGSA-N
XLogP5.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.96
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 73356574) is (2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is CCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of (2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is REUSLHRPQIDTIG-PGRDOPGGSA-N. The full InChI is InChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1.
What are the key properties of (2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[(8S)-1-chloro-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide has a molecular weight of 540.96 g/mol, XLogP of 5.87, 7 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-8-[2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 73356574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).