[4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen

C73H89F12N9O10 — CID 157180789

About [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen

[4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen (PubChem CID 157180789) has the molecular formula C73H89F12N9O10 and a molecular weight of 1480.54 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen
• PubChem CID: 157180789
• Molecular Formula: C73H89F12N9O10
• Molecular Weight: 1480.54 g/mol
• Exact Mass: 1479.65
• IUPAC Name: [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen
• SMILES: COC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(C)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(F)(F)F)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCO.[H][H]
• InChI: InChI=1S/C25H29F6N3O3.C25H30F3N3O4.C23H28F3N3O3.H2/c1-16(2)37-18-5-4-17(14-19(18)36-3)22(35)32-10-8-23(9-11-32)20-6-7-21(25(29,30)31)34(20)13-12-33(23)15-24(26,27)28;1-16-15-17(5-6-18(16)23(2,3)34)21(32)29-11-9-24(10-12-29)19-7-8-20(25(26,27)28)30(19)13-14-31(24)22(33)35-4;1-16-15-17(3-4-18(16)32-14-13-30)21(31)28-9-7-22(8-10-28)19-5-6-20(23(24,25)26)29(19)12-11-27(22)2;/h4-7,14,16H,8-13,15H2,1-3H3;5-8,15,34H,9-14H2,1-4H3;3-6,15,30H,7-14H2,1-2H3;1H
• InChIKey: AONVAKQWFSKXOH-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 179.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.54
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

The IUPAC name of [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen (CID 157180789) is [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen.

What is the SMILES notation for [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

The canonical SMILES for [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen is COC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(C)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CC(F)(F)F)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCO.[H][H].

What is the InChIKey of [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

The InChIKey is AONVAKQWFSKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F6N3O3.C25H30F3N3O4.C23H28F3N3O3.H2/c1-16(2)37-18-5-4-17(14-19(18)36-3)22(35)32-10-8-23(9-11-32)20-6-7-21(25(29,30)31)34(20)13-12-33(23)15-24(26,27)28;1-16-15-17(5-6-18(16)23(2,3)34)21(32)29-11-9-24(10-12-29)19-7-8-20(25(26,27)28)30(19)13-14-31(24)22(33)35-4;1-16-15-17(3-4-18(16)32-14-13-30)21(31)28-9-7-22(8-10-28)19-5-6-20(23(24,25)26)29(19)12-11-27(22)2;/h4-7,14,16H,8-13,15H2,1-3H3;5-8,15,34H,9-14H2,1-4H3;3-6,15,30H,7-14H2,1-2H3;1H.

What are the key properties of [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

[4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen has a molecular weight of 1480.54 g/mol, XLogP of 13.08, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-hydroxyethoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[2-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;methyl 1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 157180789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).