(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen

C77H85F10N9O4 — CID 161153609

IUPAC(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1Cc1ccccc1)CC2.[H][H]
InChIInChI=1S/C27H28F3N3O.C26H26F3N3O.C24H29F4N3O2.H2/c1-31-17-18-33-23(11-12-24(33)27(28,29)30)26(31)13-15-32(16-14-26)25(34)22-10-6-5-9-21(22)19-20-7-3-2-4-8-20;1-30-17-18-32-22(11-12-23(32)26(27,28)29)25(30)13-15-31(16-14-25)24(33)21-9-7-20(8-10-21)19-5-3-2-4-6-19;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)14-22(3,4)29-23;/h2-12H,13-19H2,1H3;2-12H,13-18H2,1H3;5-8,13,15,29H,9-12,14H2,1-4H3;1H
InChIKeyUOZXHJGVYZXCSG-UHFFFAOYSA-N
MW1390.57 g/mol
LogP15.62
Rot. Bonds8

About (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen

(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen (PubChem CID 161153609) has the molecular formula C77H85F10N9O4 and a molecular weight of 1390.57 g/mol. Its IUPAC name is (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen
PubChem CID161153609
Molecular FormulaC77H85F10N9O4
Molecular Weight1390.57 g/mol
Exact Mass1389.66
IUPAC Name(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1Cc1ccccc1)CC2.[H][H]
InChIInChI=1S/C27H28F3N3O.C26H26F3N3O.C24H29F4N3O2.H2/c1-31-17-18-33-23(11-12-24(33)27(28,29)30)26(31)13-15-32(16-14-26)25(34)22-10-6-5-9-21(22)19-20-7-3-2-4-8-20;1-30-17-18-32-22(11-12-23(32)26(27,28)29)25(30)13-15-31(16-14-25)24(33)21-9-7-20(8-10-21)19-5-3-2-4-6-19;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)14-22(3,4)29-23;/h2-12H,13-19H2,1H3;2-12H,13-18H2,1H3;5-8,13,15,29H,9-12,14H2,1-4H3;1H
InChIKeyUOZXHJGVYZXCSG-UHFFFAOYSA-N
XLogP15.62
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.57
LogP ≤ 515.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen?
The IUPAC name of (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen (CID 161153609) is (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen.
What is the SMILES notation for (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen?
The canonical SMILES for (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1Cc1ccccc1)CC2.[H][H].
What is the InChIKey of (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen?
The InChIKey is UOZXHJGVYZXCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O.C26H26F3N3O.C24H29F4N3O2.H2/c1-31-17-18-33-23(11-12-24(33)27(28,29)30)26(31)13-15-32(16-14-26)25(34)22-10-6-5-9-21(22)19-20-7-3-2-4-8-20;1-30-17-18-32-22(11-12-23(32)26(27,28)29)25(30)13-15-31(16-14-25)24(33)21-9-7-20(8-10-21)19-5-3-2-4-6-19;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)14-22(3,4)29-23;/h2-12H,13-19H2,1H3;2-12H,13-18H2,1H3;5-8,13,15,29H,9-12,14H2,1-4H3;1H.
What are the key properties of (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen?
(2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen has a molecular weight of 1390.57 g/mol, XLogP of 15.62, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen is sourced from PubChem (CID 161153609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).