(3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

C99H96ClF6N11O16S2 — CID 161356094

About (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

(3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (PubChem CID 161356094) has the molecular formula C99H96ClF6N11O16S2 and a molecular weight of 1909.49 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

Molecular Properties

• Compound Name: (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• PubChem CID: 161356094
• Molecular Formula: C99H96ClF6N11O16S2
• Molecular Weight: 1909.49 g/mol
• Exact Mass: 1907.61
• IUPAC Name: (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• SMILES: COC(=O)c1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc(N(C)S(C)(=O)=O)c1.COc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)ccc1S(C)(=O)=O.Cc1cc(C)cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c1
• InChI: InChI=1S/C26H26ClN3O6S.C25H23F3N2O4S.C24H22F3N3O4.C24H25N3O2/c1-28(37(3,33)34)20-14-17(13-18(15-20)25(32)35-2)24(31)29-11-8-26(9-12-29)23-5-4-10-30(23)21-7-6-19(27)16-22(21)36-26;1-16-15-17(7-8-20(16)35(2,32)33)23(31)29-13-11-24(12-14-29)21-9-10-22(25(26,27)28)30(21)18-5-3-4-6-19(18)34-24;1-29-21-16-5-3-4-6-19(16)34-23(18(21)14-28-29)9-11-30(12-10-23)22(31)17-8-7-15(13-20(17)32-2)33-24(25,26)27;1-16-12-17(2)14-18(13-16)23(28)27-10-8-24(9-11-27)20-15-25-26(3)22(20)19-6-4-5-7-21(19)29-24/h4-7,10,13-16H,8-9,11-12H2,1-3H3;3-10,15H,11-14H2,1-2H3;3-8,13-14H,9-12H2,1-2H3;4-7,12-15H,8-11H2,1-3H3
• InChIKey: VOOIGRYZYJXQOX-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 279.94 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.49
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The IUPAC name of (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (CID 161356094) is (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

What is the SMILES notation for (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The canonical SMILES for (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is COC(=O)c1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc(N(C)S(C)(=O)=O)c1.COc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)ccc1S(C)(=O)=O.Cc1cc(C)cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c1.

What is the InChIKey of (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The InChIKey is VOOIGRYZYJXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O6S.C25H23F3N2O4S.C24H22F3N3O4.C24H25N3O2/c1-28(37(3,33)34)20-14-17(13-18(15-20)25(32)35-2)24(31)29-11-8-26(9-12-29)23-5-4-10-30(23)21-7-6-19(27)16-22(21)36-26;1-16-15-17(7-8-20(16)35(2,32)33)23(31)29-13-11-24(12-14-29)21-9-10-22(25(26,27)28)30(21)18-5-3-4-6-19(18)34-24;1-29-21-16-5-3-4-6-19(16)34-23(18(21)14-28-29)9-11-30(12-10-23)22(31)17-8-7-15(13-20(17)32-2)33-24(25,26)27;1-16-12-17(2)14-18(13-16)23(28)27-10-8-24(9-11-27)20-15-25-26(3)22(20)19-6-4-5-7-21(19)29-24/h4-7,10,13-16H,8-9,11-12H2,1-3H3;3-10,15H,11-14H2,1-2H3;3-8,13-14H,9-12H2,1-2H3;4-7,12-15H,8-11H2,1-3H3.

What are the key properties of (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

(3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone has a molecular weight of 1909.49 g/mol, XLogP of 17.31, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 3-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate;(3-methyl-4-methylsulfonylphenyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is sourced from PubChem (CID 161356094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).