(3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen

C75H97ClF7N9O8 — CID 158845511

About (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen

(3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen (PubChem CID 158845511) has the molecular formula C75H97ClF7N9O8 and a molecular weight of 1421.09 g/mol. Its IUPAC name is (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen
• PubChem CID: 158845511
• Molecular Formula: C75H97ClF7N9O8
• Molecular Weight: 1421.09 g/mol
• Exact Mass: 1419.70
• IUPAC Name: (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1Cl.CCCCOc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C3(O)CCC3)cc1)CC2.[H][H].[H][H]
• InChI: InChI=1S/C27H36ClN3O3.C24H27F4N3O2.C24H30F3N3O3.2H2/c1-18(2)34-22-9-7-19(17-20(22)28)25(33)30-13-11-27(12-14-30)23-10-8-21(24(32)26(3,4)5)31(23)16-15-29(27)6;1-29-13-14-31-19(24(26,27)28)15-18(25)20(31)22(29)9-11-30(12-10-22)21(32)16-3-5-17(6-4-16)23(33)7-2-8-23;1-3-4-15-33-19-16-17(5-6-18(19)32-2)22(31)29-12-9-23(10-13-29)20-7-8-21(24(25,26)27)30(20)14-11-28-23;;/h7-10,17-18H,11-16H2,1-6H3;3-6,15,33H,2,7-14H2,1H3;5-8,16,28H,3-4,9-15H2,1-2H3;2*1H
• InChIKey: IYTWIOYCHDRCAD-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 159.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.09
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen?

The IUPAC name of (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen (CID 158845511) is (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen?

The canonical SMILES for (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1Cl.CCCCOc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C3(O)CCC3)cc1)CC2.[H][H].[H][H].

What is the InChIKey of (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen?

The InChIKey is IYTWIOYCHDRCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN3O3.C24H27F4N3O2.C24H30F3N3O3.2H2/c1-18(2)34-22-9-7-19(17-20(22)28)25(33)30-13-11-27(12-14-30)23-10-8-21(24(32)26(3,4)5)31(23)16-15-29(27)6;1-29-13-14-31-19(24(26,27)28)15-18(25)20(31)22(29)9-11-30(12-10-22)21(32)16-3-5-17(6-4-16)23(33)7-2-8-23;1-3-4-15-33-19-16-17(5-6-18(19)32-2)22(31)29-12-9-23(10-13-29)20-7-8-21(24(25,26)27)30(20)14-11-28-23;;/h7-10,17-18H,11-16H2,1-6H3;3-6,15,33H,2,7-14H2,1H3;5-8,16,28H,3-4,9-15H2,1-2H3;2*1H.

What are the key properties of (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen?

(3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen has a molecular weight of 1421.09 g/mol, XLogP of 14.25, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 158845511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).