1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C97H108F15N13O10 — CID 157146276

About 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157146276) has the molecular formula C97H108F15N13O10 and a molecular weight of 1900.98 g/mol. Its IUPAC name is 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157146276
• Molecular Formula: C97H108F15N13O10
• Molecular Weight: 1900.98 g/mol
• Exact Mass: 1899.81
• IUPAC Name: 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)c1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1O.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OCC3CC3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccnc3ccccc13)CC2.COc1cc(C(=O)N2CCC3(CC2)c2cc(C(F)(F)F)c(C(F)(F)F)n2CCN3C)ccc1OC(C)C
• InChI: InChI=1S/C25H29F6N3O3.C25H28F3N3O3.C24H28F3N3O3.C23H23F3N4O/c1-15(2)37-18-6-5-16(13-19(18)36-4)22(35)33-9-7-23(8-10-33)20-14-17(24(26,27)28)21(25(29,30)31)34(20)12-11-32(23)3;1-29-14-15-31-20(22(32)25(26,27)28)8-9-21(31)24(29)10-12-30(13-11-24)23(33)18-4-6-19(7-5-18)34-16-17-2-3-17;1-15(2)17-14-16(4-6-19(17)31)22(33)29-10-8-23(9-11-29)20-7-5-18(21(32)24(25,26)27)30(20)13-12-28(23)3;1-28-14-15-30-19(6-7-20(30)23(24,25)26)22(28)9-12-29(13-10-22)21(31)17-8-11-27-18-5-3-2-4-16(17)18/h5-6,13-15H,7-12H2,1-4H3;4-9,17H,2-3,10-16H2,1H3;4-7,14-15,31H,8-13H2,1-3H3;2-8,11H,9-10,12-15H2,1H3
• InChIKey: AKSUSMRHJGINET-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 208.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.98
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157146276) is 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)c1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1O.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OCC3CC3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccnc3ccccc13)CC2.COc1cc(C(=O)N2CCC3(CC2)c2cc(C(F)(F)F)c(C(F)(F)F)n2CCN3C)ccc1OC(C)C.

What is the InChIKey of 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is AKSUSMRHJGINET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F6N3O3.C25H28F3N3O3.C24H28F3N3O3.C23H23F3N4O/c1-15(2)37-18-6-5-16(13-19(18)36-4)22(35)33-9-7-23(8-10-33)20-14-17(24(26,27)28)21(25(29,30)31)34(20)12-11-32(23)3;1-29-14-15-31-20(22(32)25(26,27)28)8-9-21(31)24(29)10-12-30(13-11-24)23(33)18-4-6-19(7-5-18)34-16-17-2-3-17;1-15(2)17-14-16(4-6-19(17)31)22(33)29-10-8-23(9-11-29)20-7-5-18(21(32)24(25,26)27)30(20)13-12-28(23)3;1-28-14-15-30-19(6-7-20(30)23(24,25)26)22(28)9-12-29(13-10-22)21(31)17-8-11-27-18-5-3-2-4-16(17)18/h5-6,13-15H,7-12H2,1-4H3;4-9,17H,2-3,10-16H2,1H3;4-7,14-15,31H,8-13H2,1-3H3;2-8,11H,9-10,12-15H2,1H3.

What are the key properties of 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1900.98 g/mol, XLogP of 17.77, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[4-(cyclopropylmethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-methyl-6,7-bis(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-quinolin-4-ylmethanone;2,2,2-trifluoro-1-[1'-(4-hydroxy-3-propan-2-ylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157146276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).