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

C27H30ClF3N4O — CID 24962115

IUPAC(2R)-2-[(8S)-1-chloro-3-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30ClF3N4O/c1-3-7-22-33-25(28)24-21(15-12-18-10-13-20(14-11-18)27(29,30)31)34(16-17-35(22)24)23(26(36)32-2)19-8-5-4-6-9-19/h4-6,8-11,13-14,21,23H,3,7,12,15-17H2,1-2H3,(H,32,36)/t21-,23+/m0/s1
InChIKeyREJYHJFIVUAENV-JTHBVZDNSA-N
MW519.01 g/mol
LogP5.98
Rot. Bonds8

About (2R)-2-[(8S)-1-chloro-3-propyl-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-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 24962115) has the molecular formula C27H30ClF3N4O and a molecular weight of 519.01 g/mol. Its IUPAC name is (2R)-2-[(8S)-1-chloro-3-propyl-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-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID24962115
Molecular FormulaC27H30ClF3N4O
Molecular Weight519.01 g/mol
Exact Mass518.21
IUPAC Name(2R)-2-[(8S)-1-chloro-3-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
SMILESCCCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30ClF3N4O/c1-3-7-22-33-25(28)24-21(15-12-18-10-13-20(14-11-18)27(29,30)31)34(16-17-35(22)24)23(26(36)32-2)19-8-5-4-6-9-19/h4-6,8-11,13-14,21,23H,3,7,12,15-17H2,1-2H3,(H,32,36)/t21-,23+/m0/s1
InChIKeyREJYHJFIVUAENV-JTHBVZDNSA-N
XLogP5.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.01
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(8S)-1-chloro-3-propyl-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-propyl-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-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 24962115) is (2R)-2-[(8S)-1-chloro-3-propyl-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-propyl-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-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide is CCCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[(8S)-1-chloro-3-propyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is REJYHJFIVUAENV-JTHBVZDNSA-N. The full InChI is InChI=1S/C27H30ClF3N4O/c1-3-7-22-33-25(28)24-21(15-12-18-10-13-20(14-11-18)27(29,30)31)34(16-17-35(22)24)23(26(36)32-2)19-8-5-4-6-9-19/h4-6,8-11,13-14,21,23H,3,7,12,15-17H2,1-2H3,(H,32,36)/t21-,23+/m0/s1.
What are the key properties of (2R)-2-[(8S)-1-chloro-3-propyl-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-propyl-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 519.01 g/mol, XLogP of 5.98, 8 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-propyl-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 24962115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).