(4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

C105H111F3N10O19S2 — CID 159590484

About (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

(4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (PubChem CID 159590484) has the molecular formula C105H111F3N10O19S2 and a molecular weight of 1938.22 g/mol. Its IUPAC name is (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

Molecular Properties

• Compound Name: (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• PubChem CID: 159590484
• Molecular Formula: C105H111F3N10O19S2
• Molecular Weight: 1938.22 g/mol
• Exact Mass: 1936.74
• IUPAC Name: (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• SMILES: CCS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1C.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(C)=O)ccc23)cc1OC.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c3ccc2S(C)(=O)=O)cc1C(F)(F)F.COc1ccc2c(c1)-c1c(cnn1C)C1(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC1)O2
• InChI: InChI=1S/C28H30N2O6.C27H31N3O4.C25H23F3N2O5S.C25H27N3O4S/c1-19(31)21-9-11-26-28(36-23-7-5-4-6-22(23)30(21)26)12-14-29(15-13-28)27(32)20-8-10-24(25(18-20)34-3)35-17-16-33-2;1-17(2)33-23-8-6-19(14-18(23)3)26(31)30-12-10-27(11-13-30)22-16-28-29(4)25(22)21-15-20(32-5)7-9-24(21)34-27;1-34-19-8-7-16(15-17(19)25(26,27)28)23(31)29-13-11-24(12-14-29)21-9-10-22(36(2,32)33)30(21)18-5-3-4-6-20(18)35-24;1-4-33(30,31)22-10-9-18(15-17(22)2)24(29)28-13-11-25(12-14-28)20-16-26-27(3)23(20)19-7-5-6-8-21(19)32-25/h4-11,18H,12-17H2,1-3H3;6-9,14-17H,10-13H2,1-5H3;3-10,15H,11-14H2,1-2H3;5-10,15-16H,4,11-14H2,1-3H3
• InChIKey: MKEFOGLKGXCIRB-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 304.39 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1938.22
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The IUPAC name of (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (CID 159590484) is (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

What is the SMILES notation for (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The canonical SMILES for (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is CCS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1C.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(C)=O)ccc23)cc1OC.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c3ccc2S(C)(=O)=O)cc1C(F)(F)F.COc1ccc2c(c1)-c1c(cnn1C)C1(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC1)O2.

What is the InChIKey of (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The InChIKey is MKEFOGLKGXCIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6.C27H31N3O4.C25H23F3N2O5S.C25H27N3O4S/c1-19(31)21-9-11-26-28(36-23-7-5-4-6-22(23)30(21)26)12-14-29(15-13-28)27(32)20-8-10-24(25(18-20)34-3)35-17-16-33-2;1-17(2)33-23-8-6-19(14-18(23)3)26(31)30-12-10-27(11-13-30)22-16-28-29(4)25(22)21-15-20(32-5)7-9-24(21)34-27;1-34-19-8-7-16(15-17(19)25(26,27)28)23(31)29-13-11-24(12-14-29)21-9-10-22(36(2,32)33)30(21)18-5-3-4-6-20(18)35-24;1-4-33(30,31)22-10-9-18(15-17(22)2)24(29)28-13-11-25(12-14-28)20-16-26-27(3)23(20)19-7-5-6-8-21(19)32-25/h4-11,18H,12-17H2,1-3H3;6-9,14-17H,10-13H2,1-5H3;3-10,15H,11-14H2,1-2H3;5-10,15-16H,4,11-14H2,1-3H3.

What are the key properties of (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

(4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone has a molecular weight of 1938.22 g/mol, XLogP of 17.10, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethylsulfonyl-3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[1-[3-methoxy-4-(2-methoxyethoxy)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone;(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[4-methoxy-3-(trifluoromethyl)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is sourced from PubChem (CID 159590484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).