[2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C98H97F5N10O13S2 — CID 157178743

About [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

[2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 157178743) has the molecular formula C98H97F5N10O13S2 and a molecular weight of 1782.03 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 157178743
• Molecular Formula: C98H97F5N10O13S2
• Molecular Weight: 1782.03 g/mol
• Exact Mass: 1780.66
• IUPAC Name: [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)F)ccc23)cc1.CCc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2sc(C)nc23)cc1OC.COc1cccc(C)c1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccc(F)cc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1
• InChI: InChI=1S/C26H26F2N2O4S.C25H26N2O3S.C24H25N3O3.C23H20F3N3O3/c1-17(2)35(32,33)19-9-7-18(8-10-19)25(31)29-15-13-26(14-16-29)23-12-11-21(24(27)28)30(23)20-5-3-4-6-22(20)34-26;1-4-17-9-10-18(15-21(17)29-3)24(28)27-13-11-25(12-14-27)23-22(31-16(2)26-23)19-7-5-6-8-20(19)30-25;1-16-7-6-10-20(29-3)21(16)23(28)27-13-11-24(12-14-27)18-15-25-26(2)22(18)17-8-4-5-9-19(17)30-24;1-28-20-15-7-6-14(24)12-19(15)32-23(17(20)13-27-28)8-10-29(11-9-23)21(30)16-4-2-3-5-18(16)31-22(25)26/h3-12,17,24H,13-16H2,1-2H3;5-10,15H,4,11-14H2,1-3H3;4-10,15H,11-14H2,1-3H3;2-7,12-13,22H,8-11H2,1H3
• InChIKey: AOIDYWDFBCNDCH-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 233.45 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.03
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 157178743) is [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)F)ccc23)cc1.CCc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2sc(C)nc23)cc1OC.COc1cccc(C)c1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccc(F)cc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.

What is the InChIKey of [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is AOIDYWDFBCNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O4S.C25H26N2O3S.C24H25N3O3.C23H20F3N3O3/c1-17(2)35(32,33)19-9-7-18(8-10-19)25(31)29-15-13-26(14-16-29)23-12-11-21(24(27)28)30(23)20-5-3-4-6-22(20)34-26;1-4-17-9-10-18(15-21(17)29-3)24(28)27-13-11-25(12-14-27)23-22(31-16(2)26-23)19-7-5-6-8-20(19)30-25;1-16-7-6-10-20(29-3)21(16)23(28)27-13-11-24(12-14-27)18-15-25-26(2)22(18)17-8-4-5-9-19(17)30-24;1-28-20-15-7-6-14(24)12-19(15)32-23(17(20)13-27-28)8-10-29(11-9-23)21(30)16-4-2-3-5-18(16)31-22(25)26/h3-12,17,24H,13-16H2,1-2H3;5-10,15H,4,11-14H2,1-3H3;4-10,15H,11-14H2,1-3H3;2-7,12-13,22H,8-11H2,1H3.

What are the key properties of [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

[2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1782.03 g/mol, XLogP of 18.61, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(difluoromethoxy)phenyl]-(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1'-(difluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;(4-ethyl-3-methoxyphenyl)-(2-methylspiro[chromeno[3,4-d][1,3]thiazole-4,4'-piperidine]-1'-yl)methanone;(2-methoxy-6-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 157178743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).