[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen

C72H88F13N9O8 — CID 159329588

IUPAC[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)cc1F.COCCN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1OC(F)(F)F)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCC(C)(C)O.[H][H]
InChIInChI=1S/C25H32F3N3O3.C24H29F4N3O2.C23H25F6N3O3.H2/c1-17-15-18(5-6-19(17)34-16-23(2,3)33)22(32)30-11-9-24(10-12-30)20-7-8-21(25(26,27)28)31(20)14-13-29(24)4;1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)22(3,4)14-29-23;1-34-15-14-31-12-13-32-18(6-7-19(32)22(24,25)26)21(31)8-10-30(11-9-21)20(33)16-4-2-3-5-17(16)35-23(27,28)29;/h5-8,15,33H,9-14,16H2,1-4H3;5-8,13,15,29H,9-12,14H2,1-4H3;2-7H,8-15H2,1H3;1H
InChIKeyLEUPCQAISHSQJJ-UHFFFAOYSA-N
MW1454.52 g/mol
LogP13.69
Rot. Bonds12

About [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen

[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen (PubChem CID 159329588) has the molecular formula C72H88F13N9O8 and a molecular weight of 1454.52 g/mol. Its IUPAC name is [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen
PubChem CID159329588
Molecular FormulaC72H88F13N9O8
Molecular Weight1454.52 g/mol
Exact Mass1453.65
IUPAC Name[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)cc1F.COCCN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1OC(F)(F)F)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCC(C)(C)O.[H][H]
InChIInChI=1S/C25H32F3N3O3.C24H29F4N3O2.C23H25F6N3O3.H2/c1-17-15-18(5-6-19(17)34-16-23(2,3)33)22(32)30-11-9-24(10-12-30)20-7-8-21(25(26,27)28)31(20)14-13-29(24)4;1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)22(3,4)14-29-23;1-34-15-14-31-12-13-32-18(6-7-19(32)22(24,25)26)21(31)8-10-30(11-9-21)20(33)16-4-2-3-5-17(16)35-23(27,28)29;/h5-8,15,33H,9-14,16H2,1-4H3;5-8,13,15,29H,9-12,14H2,1-4H3;2-7H,8-15H2,1H3;1H
InChIKeyLEUPCQAISHSQJJ-UHFFFAOYSA-N
XLogP13.69
TPSA151.38 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.52
LogP ≤ 513.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?
The IUPAC name of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen (CID 159329588) is [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen.
What is the SMILES notation for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?
The canonical SMILES for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)cc1F.COCCN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1OC(F)(F)F)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCC(C)(C)O.[H][H].
What is the InChIKey of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?
The InChIKey is LEUPCQAISHSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O3.C24H29F4N3O2.C23H25F6N3O3.H2/c1-17-15-18(5-6-19(17)34-16-23(2,3)33)22(32)30-11-9-24(10-12-30)20-7-8-21(25(26,27)28)31(20)14-13-29(24)4;1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)22(3,4)14-29-23;1-34-15-14-31-12-13-32-18(6-7-19(32)22(24,25)26)21(31)8-10-30(11-9-21)20(33)16-4-2-3-5-17(16)35-23(27,28)29;/h5-8,15,33H,9-14,16H2,1-4H3;5-8,13,15,29H,9-12,14H2,1-4H3;2-7H,8-15H2,1H3;1H.
What are the key properties of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?
[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen has a molecular weight of 1454.52 g/mol, XLogP of 13.69, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 159329588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).