[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

C72H91F12N9O6 — CID 158590413

IUPAC[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
SMILESCC(C)(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(F)(F)F)cc1.CC(C)C(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1C(C)(C)O.[H][H].[H][H]
InChIInChI=1S/C24H27F6N3O2.2C24H30F3N3O2.2H2/c1-21(2,35)17-5-3-16(4-6-17)20(34)31-11-9-22(10-12-31)18-7-8-19(24(28,29)30)33(18)14-13-32(22)15-23(25,26)27;1-16-15-17(5-6-18(16)22(2,3)32)21(31)29-11-9-23(10-12-29)19-7-8-20(24(25,26)27)30(19)14-13-28(23)4;1-16(2)21(31)17-4-6-18(7-5-17)22(32)29-12-10-23(11-13-29)19-8-9-20(24(25,26)27)30(19)15-14-28(23)3;;/h3-8,35H,9-15H2,1-2H3;5-8,15,32H,9-14H2,1-4H3;4-9,16,21,31H,10-15H2,1-3H3;2*1H
InChIKeyHUJKJTXHXNKQEY-UHFFFAOYSA-N
MW1406.55 g/mol
LogP13.63
Rot. Bonds8

About [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

[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 (PubChem CID 158590413) has the molecular formula C72H91F12N9O6 and a molecular weight of 1406.55 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158590413
Molecular FormulaC72H91F12N9O6
Molecular Weight1406.55 g/mol
Exact Mass1405.69
IUPAC Name[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
SMILESCC(C)(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(F)(F)F)cc1.CC(C)C(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1C(C)(C)O.[H][H].[H][H]
InChIInChI=1S/C24H27F6N3O2.2C24H30F3N3O2.2H2/c1-21(2,35)17-5-3-16(4-6-17)20(34)31-11-9-22(10-12-31)18-7-8-19(24(28,29)30)33(18)14-13-32(22)15-23(25,26)27;1-16-15-17(5-6-18(16)22(2,3)32)21(31)29-11-9-23(10-12-29)19-7-8-20(24(25,26)27)30(19)14-13-28(23)4;1-16(2)21(31)17-4-6-18(7-5-17)22(32)29-12-10-23(11-13-29)19-8-9-20(24(25,26)27)30(19)15-14-28(23)3;;/h3-8,35H,9-15H2,1-2H3;5-8,15,32H,9-14H2,1-4H3;4-9,16,21,31H,10-15H2,1-3H3;2*1H
InChIKeyHUJKJTXHXNKQEY-UHFFFAOYSA-N
XLogP13.63
TPSA146.13 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.55
LogP ≤ 513.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(F)(F)F)cc1.CC(C)C(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1C(C)(C)O.[H][H].[H][H].
What is the InChIKey of [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?
The InChIKey is HUJKJTXHXNKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N3O2.2C24H30F3N3O2.2H2/c1-21(2,35)17-5-3-16(4-6-17)20(34)31-11-9-22(10-12-31)18-7-8-19(24(28,29)30)33(18)14-13-32(22)15-23(25,26)27;1-16-15-17(5-6-18(16)22(2,3)32)21(31)29-11-9-23(10-12-29)19-7-8-20(24(25,26)27)30(19)14-13-28(23)4;1-16(2)21(31)17-4-6-18(7-5-17)22(32)29-12-10-23(11-13-29)19-8-9-20(24(25,26)27)30(19)15-14-28(23)3;;/h3-8,35H,9-15H2,1-2H3;5-8,15,32H,9-14H2,1-4H3;4-9,16,21,31H,10-15H2,1-3H3;2*1H.
What are the key properties of [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?
[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 has a molecular weight of 1406.55 g/mol, XLogP of 13.63, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).