(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C95H112Cl2F10N12O9 — CID 159743018

IUPAC(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)c(F)c1.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cl)cc1)CC2.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2.COc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H]
InChIInChI=1S/C25H26ClN3O2.C25H29F4N3O3.C25H32F3N3O3.C20H21ClF3N3O.2H2/c1-27-17-18-29-22(11-12-23(29)26)25(27)13-15-28(16-14-25)24(30)19-7-9-21(10-8-19)31-20-5-3-2-4-6-20;1-15(2)35-16-5-6-17(18(26)13-16)22(34)31-11-9-24(10-12-31)20-8-7-19(21(33)25(27,28)29)32(20)14-23(3,4)30-24;1-16(2)34-18-7-6-17(14-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(3,4)15-29-24;1-25-12-13-27-16(6-7-17(27)20(22,23)24)19(25)8-10-26(11-9-19)18(28)14-2-4-15(21)5-3-14;;/h2-12H,13-18H2,1H3;5-8,13,15,30H,9-12,14H2,1-4H3;6-9,14,16,29H,10-13,15H2,1-5H3;2-7H,8-13H2,1H3;2*1H
InChIKeyNCRSHRKHJKETAG-UHFFFAOYSA-N
MW1826.90 g/mol
LogP19.19
Rot. Bonds12

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159743018) has the molecular formula C95H112Cl2F10N12O9 and a molecular weight of 1826.90 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

Compound Name(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
PubChem CID159743018
Molecular FormulaC95H112Cl2F10N12O9
Molecular Weight1826.90 g/mol
Exact Mass1824.79
IUPAC Name(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)c(F)c1.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cl)cc1)CC2.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2.COc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H]
InChIInChI=1S/C25H26ClN3O2.C25H29F4N3O3.C25H32F3N3O3.C20H21ClF3N3O.2H2/c1-27-17-18-29-22(11-12-23(29)26)25(27)13-15-28(16-14-25)24(30)19-7-9-21(10-8-19)31-20-5-3-2-4-6-20;1-15(2)35-16-5-6-17(18(26)13-16)22(34)31-11-9-24(10-12-31)20-8-7-19(21(33)25(27,28)29)32(20)14-23(3,4)30-24;1-16(2)34-18-7-6-17(14-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(3,4)15-29-24;1-25-12-13-27-16(6-7-17(27)20(22,23)24)19(25)8-10-26(11-9-19)18(28)14-2-4-15(21)5-3-14;;/h2-12H,13-18H2,1H3;5-8,13,15,30H,9-12,14H2,1-4H3;6-9,14,16,29H,10-13,15H2,1-5H3;2-7H,8-13H2,1H3;2*1H
InChIKeyNCRSHRKHJKETAG-UHFFFAOYSA-N
XLogP19.19
TPSA185.49 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.90
LogP ≤ 519.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159743018) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.
What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)c(F)c1.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Cl)cc1)CC2.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2.COc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H].
What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The InChIKey is NCRSHRKHJKETAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2.C25H29F4N3O3.C25H32F3N3O3.C20H21ClF3N3O.2H2/c1-27-17-18-29-22(11-12-23(29)26)25(27)13-15-28(16-14-25)24(30)19-7-9-21(10-8-19)31-20-5-3-2-4-6-20;1-15(2)35-16-5-6-17(18(26)13-16)22(34)31-11-9-24(10-12-31)20-8-7-19(21(33)25(27,28)29)32(20)14-23(3,4)30-24;1-16(2)34-18-7-6-17(14-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(3,4)15-29-24;1-25-12-13-27-16(6-7-17(27)20(22,23)24)19(25)8-10-26(11-9-19)18(28)14-2-4-15(21)5-3-14;;/h2-12H,13-18H2,1H3;5-8,13,15,30H,9-12,14H2,1-4H3;6-9,14,16,29H,10-13,15H2,1-5H3;2-7H,8-13H2,1H3;2*1H.
What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1826.90 g/mol, XLogP of 19.19, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-phenoxyphenyl)methanone;(4-chlorophenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159743018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).