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

C27H28F6N4O — CID 24960290

IUPAC(2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(C(F)(F)F)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H28F6N4O/c1-3-21-35-24(27(31,32)33)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)36(15-16-37(21)23)22(25(38)34-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,34,38)/t20-,22+/m0/s1
InChIKeyFCICGKQTKVSARO-RBBKRZOGSA-N
MW538.54 g/mol
LogP5.96
Rot. Bonds7

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

(2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 24960290) has the molecular formula C27H28F6N4O and a molecular weight of 538.54 g/mol. Its IUPAC name is (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-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)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID24960290
Molecular FormulaC27H28F6N4O
Molecular Weight538.54 g/mol
Exact Mass538.22
IUPAC Name(2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCc1nc(C(F)(F)F)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H28F6N4O/c1-3-21-35-24(27(31,32)33)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)36(15-16-37(21)23)22(25(38)34-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,34,38)/t20-,22+/m0/s1
InChIKeyFCICGKQTKVSARO-RBBKRZOGSA-N
XLogP5.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-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)-3-ethyl-1-(trifluoromethyl)-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)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 24960290) is (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-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)-3-ethyl-1-(trifluoromethyl)-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)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is CCc1nc(C(F)(F)F)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is FCICGKQTKVSARO-RBBKRZOGSA-N. The full InChI is InChI=1S/C27H28F6N4O/c1-3-21-35-24(27(31,32)33)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)36(15-16-37(21)23)22(25(38)34-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,34,38)/t20-,22+/m0/s1.
What are the key properties of (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
(2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-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 538.54 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8S)-3-ethyl-1-(trifluoromethyl)-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 24960290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).