(7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone

C89H80Cl2F5N13O12S — CID 158744859

About (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone

(7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone (PubChem CID 158744859) has the molecular formula C89H80Cl2F5N13O12S and a molecular weight of 1721.66 g/mol. Its IUPAC name is (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
• PubChem CID: 158744859
• Molecular Formula: C89H80Cl2F5N13O12S
• Molecular Weight: 1721.66 g/mol
• Exact Mass: 1719.51
• IUPAC Name: (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c(F)c1.Cn1ncc2c1-c1ccc(Cl)cc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccnnc2)CC1
• InChI: InChI=1S/C23H20ClF2N3O3.C23H20ClFN2O3.C23H21F2N3O4S.C20H19N5O2/c1-28-20-15-7-6-14(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;1-29-16-5-6-17(18(25)14-16)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)19-7-4-15(24)13-20(19)30-23;1-27-20-17-4-2-3-5-19(17)32-23(18(20)14-26-27)10-12-28(13-11-23)21(29)15-6-8-16(9-7-15)33(30,31)22(24)25;1-24-18-15-4-2-3-5-17(15)27-20(16(18)13-23-24)7-10-25(11-8-20)19(26)14-6-9-21-22-12-14/h2-7,12-13,22H,8-11H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3;2-9,14,22H,10-13H2,1H3;2-6,9,12-13H,7-8,10-11H2,1H3
• InChIKey: IMTJFECERWVJNF-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 254.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.66
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?

The IUPAC name of (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone (CID 158744859) is (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone.

What is the SMILES notation for (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?

The canonical SMILES for (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone is COc1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c(F)c1.Cn1ncc2c1-c1ccc(Cl)cc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccnnc2)CC1.

What is the InChIKey of (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?

The InChIKey is IMTJFECERWVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O3.C23H20ClFN2O3.C23H21F2N3O4S.C20H19N5O2/c1-28-20-15-7-6-14(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;1-29-16-5-6-17(18(25)14-16)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)19-7-4-15(24)13-20(19)30-23;1-27-20-17-4-2-3-5-19(17)32-23(18(20)14-26-27)10-12-28(13-11-23)21(29)15-6-8-16(9-7-15)33(30,31)22(24)25;1-24-18-15-4-2-3-5-17(15)27-20(16(18)13-23-24)7-10-25(11-8-20)19(26)14-6-9-21-22-12-14/h2-7,12-13,22H,8-11H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3;2-9,14,22H,10-13H2,1H3;2-6,9,12-13H,7-8,10-11H2,1H3.

What are the key properties of (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?

(7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone has a molecular weight of 1721.66 g/mol, XLogP of 15.68, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(difluoromethoxy)phenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2-fluoro-4-methoxyphenyl)methanone;[4-(difluoromethylsulfonyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 158744859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).