4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C95H112F10N16O12S2 — CID 159656266

IUPAC4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C(C)(C)O)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1cncnc1.[H][H]
InChIInChI=1S/C26H26F3N5O2.C23H27F4N3O2.C23H27F3N4O4S.C23H30N4O4S.H2/c1-17-13-18(3-4-20(17)19-14-30-16-31-15-19)24(36)33-9-7-25(8-10-33)22-6-5-21(23(35)26(27,28)29)34(22)12-11-32(25)2;1-21(2,32)16-6-4-15(5-7-16)20(31)29-10-8-22(9-11-29)19-17(24)14-18(23(25,26)27)30(19)13-12-28(22)3;1-15-14-16(4-6-18(15)35(33,34)27-2)21(32)29-10-8-22(9-11-29)19-7-5-17(20(31)23(24,25)26)30(19)13-12-28(22)3;1-4-24-32(30,31)19-7-5-18(6-8-19)22(29)26-13-11-23(12-14-26)21-10-9-20(17(2)28)27(21)16-15-25(23)3;/h3-6,13-16H,7-12H2,1-2H3;4-7,14,32H,8-13H2,1-3H3;4-7,14,27H,8-13H2,1-3H3;5-10,24H,4,11-16H2,1-3H3;1H
InChIKeyMSFITJYFSWLCMQ-UHFFFAOYSA-N
MW1924.15 g/mol
LogP12.86
Rot. Bonds14

About 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159656266) has the molecular formula C95H112F10N16O12S2 and a molecular weight of 1924.15 g/mol. Its IUPAC name is 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

Compound Name4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
PubChem CID159656266
Molecular FormulaC95H112F10N16O12S2
Molecular Weight1924.15 g/mol
Exact Mass1922.79
IUPAC Name4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C(C)(C)O)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1cncnc1.[H][H]
InChIInChI=1S/C26H26F3N5O2.C23H27F4N3O2.C23H27F3N4O4S.C23H30N4O4S.H2/c1-17-13-18(3-4-20(17)19-14-30-16-31-15-19)24(36)33-9-7-25(8-10-33)22-6-5-21(23(35)26(27,28)29)34(22)12-11-32(25)2;1-21(2,32)16-6-4-15(5-7-16)20(31)29-10-8-22(9-11-29)19-17(24)14-18(23(25,26)27)30(19)13-12-28(22)3;1-15-14-16(4-6-18(15)35(33,34)27-2)21(32)29-10-8-22(9-11-29)19-7-5-17(20(31)23(24,25)26)30(19)13-12-28(22)3;1-4-24-32(30,31)19-7-5-18(6-8-19)22(29)26-13-11-23(12-14-26)21-10-9-20(17(2)28)27(21)16-15-25(23)3;/h3-6,13-16H,7-12H2,1-2H3;4-7,14,32H,8-13H2,1-3H3;4-7,14,27H,8-13H2,1-3H3;5-10,24H,4,11-16H2,1-3H3;1H
InChIKeyMSFITJYFSWLCMQ-UHFFFAOYSA-N
XLogP12.86
TPSA303.48 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.15
LogP ≤ 512.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone with MolForge

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Related Compounds

3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-N-methyl-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzamide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzoic acid;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]boronic acid;2,3,5-trifluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
CID 165015070

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The IUPAC name of 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159656266) is 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.
What is the SMILES notation for 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The canonical SMILES for 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C(C)(C)O)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1cncnc1.[H][H].
What is the InChIKey of 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The InChIKey is MSFITJYFSWLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2.C23H27F4N3O2.C23H27F3N4O4S.C23H30N4O4S.H2/c1-17-13-18(3-4-20(17)19-14-30-16-31-15-19)24(36)33-9-7-25(8-10-33)22-6-5-21(23(35)26(27,28)29)34(22)12-11-32(25)2;1-21(2,32)16-6-4-15(5-7-16)20(31)29-10-8-22(9-11-29)19-17(24)14-18(23(25,26)27)30(19)13-12-28(22)3;1-15-14-16(4-6-18(15)35(33,34)27-2)21(32)29-10-8-22(9-11-29)19-7-5-17(20(31)23(24,25)26)30(19)13-12-28(22)3;1-4-24-32(30,31)19-7-5-18(6-8-19)22(29)26-13-11-23(12-14-26)21-10-9-20(17(2)28)27(21)16-15-25(23)3;/h3-6,13-16H,7-12H2,1-2H3;4-7,14,32H,8-13H2,1-3H3;4-7,14,27H,8-13H2,1-3H3;5-10,24H,4,11-16H2,1-3H3;1H.
What are the key properties of 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1924.15 g/mol, XLogP of 12.86, 14 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide;N,2-dimethyl-4-[2-methyl-6-(2,2,2-trifluoroacetyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-pyrimidin-5-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159656266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).