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

C27H30ClF3N4O — CID 24960654

IUPAC(2R)-2-[(8S)-1-chloro-3-propan-2-yl-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(C)C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30ClF3N4O/c1-17(2)25-33-24(28)23-21(14-11-18-9-12-20(13-10-18)27(29,30)31)34(15-16-35(23)25)22(26(36)32-3)19-7-5-4-6-8-19/h4-10,12-13,17,21-22H,11,14-16H2,1-3H3,(H,32,36)/t21-,22+/m0/s1
InChIKeyLXNCIVNETYQUND-FCHUYYIVSA-N
MW519.01 g/mol
LogP6.16
Rot. Bonds7

About (2R)-2-[(8S)-1-chloro-3-propan-2-yl-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-propan-2-yl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (PubChem CID 24960654) has the molecular formula C27H30ClF3N4O and a molecular weight of 519.01 g/mol. Its IUPAC name is (2R)-2-[(8S)-1-chloro-3-propan-2-yl-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-propan-2-yl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
PubChem CID24960654
Molecular FormulaC27H30ClF3N4O
Molecular Weight519.01 g/mol
Exact Mass518.21
IUPAC Name(2R)-2-[(8S)-1-chloro-3-propan-2-yl-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(C)C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H30ClF3N4O/c1-17(2)25-33-24(28)23-21(14-11-18-9-12-20(13-10-18)27(29,30)31)34(15-16-35(23)25)22(26(36)32-3)19-7-5-4-6-8-19/h4-10,12-13,17,21-22H,11,14-16H2,1-3H3,(H,32,36)/t21-,22+/m0/s1
InChIKeyLXNCIVNETYQUND-FCHUYYIVSA-N
XLogP6.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.01
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(8S)-1-chloro-3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide (CID 24960654) is (2R)-2-[(8S)-1-chloro-3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(C)C)nc(Cl)c2[C@@H]1CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[(8S)-1-chloro-3-propan-2-yl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide?
The InChIKey is LXNCIVNETYQUND-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H30ClF3N4O/c1-17(2)25-33-24(28)23-21(14-11-18-9-12-20(13-10-18)27(29,30)31)34(15-16-35(23)25)22(26(36)32-3)19-7-5-4-6-8-19/h4-10,12-13,17,21-22H,11,14-16H2,1-3H3,(H,32,36)/t21-,22+/m0/s1.
What are the key properties of (2R)-2-[(8S)-1-chloro-3-propan-2-yl-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-propan-2-yl-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 6.16, 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-3-propan-2-yl-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 24960654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).