(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C103H127ClF4N12O12S — CID 158103772

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158103772) has the molecular formula C103H127ClF4N12O12S and a molecular weight of 1868.73 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158103772
• Molecular Formula: C103H127ClF4N12O12S
• Molecular Weight: 1868.73 g/mol
• Exact Mass: 1866.90
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)c(F)c1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)c4ccccc4)n2CCN3C)cc1C
• InChI: InChI=1S/C28H39N3O4S.C28H31N3O3.C25H29F4N3O3.C22H28ClN3O2/c1-20(2)19-36(34,35)22-9-7-21(8-10-22)26(33)30-15-13-28(14-16-30)24-12-11-23(25(32)27(3,4)5)31(24)18-17-29(28)6;1-20-19-22(9-11-24(20)34-3)27(33)30-15-13-28(14-16-30)25-12-10-23(31(25)18-17-29(28)2)26(32)21-7-5-4-6-8-21;1-15(2)35-17-5-6-18(19(26)13-17)23(34)31-11-9-24(10-12-31)21-8-7-20(22(33)25(27,28)29)32(21)14-16(3)30(24)4;1-16(2)28-18-6-4-17(5-7-18)21(27)25-12-10-22(11-13-25)19-8-9-20(23)26(19)15-14-24(22)3/h7-12,20H,13-19H2,1-6H3;4-12,19H,13-18H2,1-3H3;5-8,13,15-16H,9-12,14H2,1-4H3;4-9,16H,10-15H2,1-3H3/t;;16-;/m..0./s1
• InChIKey: FPOVULQPCFFWEX-UPVXFDEVSA-N
• XLogP: 16.97
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.73
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158103772) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)c(F)c1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)c4ccccc4)n2CCN3C)cc1C.

What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FPOVULQPCFFWEX-UPVXFDEVSA-N. The full InChI is InChI=1S/C28H39N3O4S.C28H31N3O3.C25H29F4N3O3.C22H28ClN3O2/c1-20(2)19-36(34,35)22-9-7-21(8-10-22)26(33)30-15-13-28(14-16-30)24-12-11-23(25(32)27(3,4)5)31(24)18-17-29(28)6;1-20-19-22(9-11-24(20)34-3)27(33)30-15-13-28(14-16-30)25-12-10-23(31(25)18-17-29(28)2)26(32)21-7-5-4-6-8-21;1-15(2)35-17-5-6-18(19(26)13-17)23(34)31-11-9-24(10-12-31)21-8-7-20(22(33)25(27,28)29)32(21)14-16(3)30(24)4;1-16(2)28-18-6-4-17(5-7-18)21(27)25-12-10-22(11-13-25)19-8-9-20(23)26(19)15-14-24(22)3/h7-12,20H,13-19H2,1-6H3;4-12,19H,13-18H2,1-3H3;5-8,13,15-16H,9-12,14H2,1-4H3;4-9,16H,10-15H2,1-3H3/t;;16-;/m..0./s1.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1868.73 g/mol, XLogP of 16.97, 16 rotatable bonds, 0 hydrogen bond donors, and 20 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-propan-2-yloxyphenyl)methanone;2,2-dimethyl-1-[2-methyl-1'-[4-(2-methylpropylsulfonyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-phenylmethanone;2,2,2-trifluoro-1-[(3S)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158103772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).