1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

C97H91F3N10O10S — CID 160632529

About 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (PubChem CID 160632529) has the molecular formula C97H91F3N10O10S and a molecular weight of 1645.92 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

Molecular Properties

• Compound Name: 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• PubChem CID: 160632529
• Molecular Formula: C97H91F3N10O10S
• Molecular Weight: 1645.92 g/mol
• Exact Mass: 1644.66
• IUPAC Name: 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cc(C)cc23)cc1C(F)(F)F.Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2CCO3)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2csc3ccccc23)CC1
• InChI: InChI=1S/C25H23F3N2O3.C24H23N3O3.C24H21N3O2S.C24H24N2O2/c1-16-13-22-24(33-21-6-4-3-5-19(21)30(22)15-16)9-11-29(12-10-24)23(31)17-7-8-20(32-2)18(14-17)25(26,27)28;1-26-22-18-5-2-3-7-21(18)30-24(19(22)15-25-26)10-12-27(13-11-24)23(28)17-6-4-8-20-16(17)9-14-29-20;1-26-22-17-7-2-4-8-20(17)29-24(19(22)14-25-26)10-12-27(13-11-24)23(28)18-15-30-21-9-5-3-6-16(18)21;1-17-9-10-19(16-18(17)2)23(27)25-14-11-24(12-15-25)22-8-5-13-26(22)20-6-3-4-7-21(20)28-24/h3-8,13-15H,9-12H2,1-2H3;2-8,15H,9-14H2,1H3;2-9,14-15H,10-13H2,1H3;3-10,13,16H,11-12,14-15H2,1-2H3
• InChIKey: RICFKCZFDRTYTB-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 182.12 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.92
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The IUPAC name of 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (CID 160632529) is 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

What is the SMILES notation for 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The canonical SMILES for 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cc(C)cc23)cc1C(F)(F)F.Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2CCO3)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2csc3ccccc23)CC1.

What is the InChIKey of 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The InChIKey is RICFKCZFDRTYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3.C24H23N3O3.C24H21N3O2S.C24H24N2O2/c1-16-13-22-24(33-21-6-4-3-5-19(21)30(22)15-16)9-11-29(12-10-24)23(31)17-7-8-20(32-2)18(14-17)25(26,27)28;1-26-22-18-5-2-3-7-21(18)30-24(19(22)15-25-26)10-12-27(13-11-24)23(28)17-6-4-8-20-16(17)9-14-29-20;1-26-22-17-7-2-4-8-20(17)29-24(19(22)14-25-26)10-12-27(13-11-24)23(28)18-15-30-21-9-5-3-6-16(18)21;1-17-9-10-19(16-18(17)2)23(27)25-14-11-24(12-15-25)22-8-5-13-26(22)20-6-3-4-7-21(20)28-24/h3-8,13-15H,9-12H2,1-2H3;2-8,15H,9-14H2,1H3;2-9,14-15H,10-13H2,1H3;3-10,13,16H,11-12,14-15H2,1-2H3.

What are the key properties of 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone has a molecular weight of 1645.92 g/mol, XLogP of 18.33, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzothiophen-3-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2,3-dihydro-1-benzofuran-4-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3,4-dimethylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(2'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is sourced from PubChem (CID 160632529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).