(3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone

C101H99F6N11O16S — CID 159874288

About (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone

(3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 159874288) has the molecular formula C101H99F6N11O16S and a molecular weight of 1869.02 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 159874288
• Molecular Formula: C101H99F6N11O16S
• Molecular Weight: 1869.02 g/mol
• Exact Mass: 1867.69
• IUPAC Name: (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)ccc1S(=O)(=O)C(C)C.COc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1OC.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1
• InChI: InChI=1S/C27H27F3N2O5S.C27H27N3O4.C24H25N3O4.C23H20F3N3O3/c1-17(2)38(34,35)22-9-8-18(16-21(22)36-3)25(33)31-14-12-26(13-15-31)23-10-11-24(27(28,29)30)32(23)19-6-4-5-7-20(19)37-26;1-26(2,32)18-8-10-20(23(16-18)33-3)25(31)29-14-12-27(13-15-29)24-11-9-19(17-28)30(24)21-6-4-5-7-22(21)34-27;1-26-22-17-6-4-5-7-19(17)31-24(18(22)15-25-26)10-12-27(13-11-24)23(28)16-8-9-20(29-2)21(14-16)30-3;1-28-20-17-7-2-3-8-19(17)32-22(18(20)14-27-28)9-11-29(12-10-22)21(30)15-5-4-6-16(13-15)31-23(24,25)26/h4-11,16-17H,12-15H2,1-3H3;4-11,16,32H,12-15H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;2-8,13-14H,9-12H2,1H3
• InChIKey: NSRYRSAVFRFPGO-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 287.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.02
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 159874288) is (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone is COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)ccc1S(=O)(=O)C(C)C.COc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1OC.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.

What is the InChIKey of (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone?

The InChIKey is NSRYRSAVFRFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O5S.C27H27N3O4.C24H25N3O4.C23H20F3N3O3/c1-17(2)38(34,35)22-9-8-18(16-21(22)36-3)25(33)31-14-12-26(13-15-31)23-10-11-24(27(28,29)30)32(23)19-6-4-5-7-20(19)37-26;1-26(2,32)18-8-10-20(23(16-18)33-3)25(31)29-14-12-27(13-15-29)24-11-9-19(17-28)30(24)21-6-4-5-7-22(21)34-27;1-26-22-17-6-4-5-7-19(17)31-24(18(22)15-25-26)10-12-27(13-11-24)23(28)16-8-9-20(29-2)21(14-16)30-3;1-28-20-17-7-2-3-8-19(17)32-22(18(20)14-27-28)9-11-29(12-10-22)21(30)15-5-4-6-16(13-15)31-23(24,25)26/h4-11,16-17H,12-15H2,1-3H3;4-11,16,32H,12-15H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;2-8,13-14H,9-12H2,1H3.

What are the key properties of (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone?

(3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 1869.02 g/mol, XLogP of 17.46, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(2-hydroxypropan-2-yl)-2-methoxybenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-ylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 159874288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).