(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C99H122ClF9N14O10S — CID 157435241

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 157435241) has the molecular formula C99H122ClF9N14O10S and a molecular weight of 1906.65 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 157435241
• Molecular Formula: C99H122ClF9N14O10S
• Molecular Weight: 1906.65 g/mol
• Exact Mass: 1904.87
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1CO.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(-c4ccccc4)cn3)CC2)N1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1OC(C)C.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)c1ccc(C(F)(F)F)n1CCN2C1CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H27F3N4O2.C25H29F3N4O3S.C24H30F3N3O3.C23H30ClN3O2.3H2/c1-25(2)17-34-21(23(35)27(28,29)30)10-11-22(34)26(32-25)12-14-33(15-13-26)24(36)20-9-8-19(16-31-20)18-6-4-3-5-7-18;26-25(27,28)22-10-9-21-24(32(19-5-6-19)16-15-31(21)22)11-13-30(14-12-24)23(33)17-1-7-20(8-2-17)36(34,35)29-18-3-4-18;1-16(2)33-19-5-4-17(14-18(19)15-31)22(32)29-10-8-23(9-11-29)20-6-7-21(24(25,26)27)30(20)13-12-28(23)3;1-16(2)29-19-6-5-18(15-17(19)3)22(28)26-11-9-23(10-12-26)20-7-8-21(24)27(20)14-13-25(23)4;;;/h3-11,16,32H,12-15,17H2,1-2H3;1-2,7-10,18-19,29H,3-6,11-16H2;4-7,14,16,31H,8-13,15H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;3*1H
• InChIKey: BRACKGUDMNFUAE-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 237.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.65
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 157435241) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1CO.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(-c4ccccc4)cn3)CC2)N1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1OC(C)C.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)c1ccc(C(F)(F)F)n1CCN2C1CC1.[H][H].[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)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is BRACKGUDMNFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O2.C25H29F3N4O3S.C24H30F3N3O3.C23H30ClN3O2.3H2/c1-25(2)17-34-21(23(35)27(28,29)30)10-11-22(34)26(32-25)12-14-33(15-13-26)24(36)20-9-8-19(16-31-20)18-6-4-3-5-7-18;26-25(27,28)22-10-9-21-24(32(19-5-6-19)16-15-31(21)22)11-13-30(14-12-24)23(33)17-1-7-20(8-2-17)36(34,35)29-18-3-4-18;1-16(2)33-19-5-4-17(14-18(19)15-31)22(32)29-10-8-23(9-11-29)20-6-7-21(24(25,26)27)30(20)13-12-28(23)3;1-16(2)29-19-6-5-18(15-17(19)3)22(28)26-11-9-23(10-12-26)20-7-8-21(24)27(20)14-13-25(23)4;;;/h3-11,16,32H,12-15,17H2,1-2H3;1-2,7-10,18-19,29H,3-6,11-16H2;4-7,14,16,31H,8-13,15H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;3*1H.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1906.65 g/mol, XLogP of 17.28, 15 rotatable bonds, 3 hydrogen bond donors, and 19 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)-(3-methyl-4-propan-2-yloxyphenyl)methanone;N-cyclopropyl-4-[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;1-[3,3-dimethyl-1'-(5-phenylpyridine-2-carbonyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 157435241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).