1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C76H87ClF9N9O7 — CID 159352994

IUPAC1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Cc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(O)COCC(F)(F)F)cc1)CC2.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cc3ccccc3)cc1)CC2.[H][H]
InChIInChI=1S/C28H28F3N3O2.C25H27F6N3O4.C23H30ClN3O.H2/c1-32-17-18-34-23(25(35)28(29,30)31)11-12-24(34)27(32)13-15-33(16-14-27)26(36)22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;1-32-12-13-34-18(21(36)25(29,30)31)6-7-20(34)23(32)8-10-33(11-9-23)22(37)17-4-2-16(3-5-17)19(35)14-38-15-24(26,27)28;1-17(2)16-18-4-6-19(7-5-18)22(28)26-12-10-23(11-13-26)20-8-9-21(24)27(20)15-14-25(23)3;/h2-12H,13-19H2,1H3;2-7,19,35H,8-15H2,1H3;4-9,17H,10-16H2,1-3H3;1H
InChIKeyLHOHXLWFPBCUEB-UHFFFAOYSA-N
MW1445.02 g/mol
LogP13.49
Rot. Bonds13

About 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159352994) has the molecular formula C76H87ClF9N9O7 and a molecular weight of 1445.02 g/mol. Its IUPAC name is 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
PubChem CID159352994
Molecular FormulaC76H87ClF9N9O7
Molecular Weight1445.02 g/mol
Exact Mass1443.63
IUPAC Name1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Cc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(O)COCC(F)(F)F)cc1)CC2.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cc3ccccc3)cc1)CC2.[H][H]
InChIInChI=1S/C28H28F3N3O2.C25H27F6N3O4.C23H30ClN3O.H2/c1-32-17-18-34-23(25(35)28(29,30)31)11-12-24(34)27(32)13-15-33(16-14-27)26(36)22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;1-32-12-13-34-18(21(36)25(29,30)31)6-7-20(34)23(32)8-10-33(11-9-23)22(37)17-4-2-16(3-5-17)19(35)14-38-15-24(26,27)28;1-17(2)16-18-4-6-19(7-5-18)22(28)26-12-10-23(11-13-26)20-8-9-21(24)27(20)15-14-25(23)3;/h2-12H,13-19H2,1H3;2-7,19,35H,8-15H2,1H3;4-9,17H,10-16H2,1-3H3;1H
InChIKeyLHOHXLWFPBCUEB-UHFFFAOYSA-N
XLogP13.49
TPSA149.04 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.02
LogP ≤ 513.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1'-[4-(3-chlorophenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3,3,3-trifluoropropoxymethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 157575848
(4-Tert-butylphenyl)-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-cyclohexylphenyl)methanone;cyclopropyl-[2-methyl-1'-[4-(3,3,3-trifluoropropoxymethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone
CID 157627903
[4-(1-Hydroxy-2-methylpropyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(2-hydroxypropan-2-yl)phenyl]-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 158590413
2-Chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carbaldehyde;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 158733668
[8-Chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[1'-[3-methoxy-4-(2,2,2-trifluoroethoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2,2,2-trifluoroethoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 160302496
1-[1'-(4-Butoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propoxyphenyl)methanone;1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;molecular hydrogen
CID 160542361

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The IUPAC name of 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159352994) is 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.
What is the SMILES notation for 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The canonical SMILES for 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Cc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(O)COCC(F)(F)F)cc1)CC2.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cc3ccccc3)cc1)CC2.[H][H].
What is the InChIKey of 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The InChIKey is LHOHXLWFPBCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2.C25H27F6N3O4.C23H30ClN3O.H2/c1-32-17-18-34-23(25(35)28(29,30)31)11-12-24(34)27(32)13-15-33(16-14-27)26(36)22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;1-32-12-13-34-18(21(36)25(29,30)31)6-7-20(34)23(32)8-10-33(11-9-23)22(37)17-4-2-16(3-5-17)19(35)14-38-15-24(26,27)28;1-17(2)16-18-4-6-19(7-5-18)22(28)26-12-10-23(11-13-26)20-8-9-21(24)27(20)15-14-25(23)3;/h2-12H,13-19H2,1H3;2-7,19,35H,8-15H2,1H3;4-9,17H,10-16H2,1-3H3;1H.
What are the key properties of 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1445.02 g/mol, XLogP of 13.49, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(4-benzylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-methylpropyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).