(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

C74H71ClF5N7O11S — CID 157265085

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (PubChem CID 157265085) has the molecular formula C74H71ClF5N7O11S and a molecular weight of 1396.93 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• PubChem CID: 157265085
• Molecular Formula: C74H71ClF5N7O11S
• Molecular Weight: 1396.93 g/mol
• Exact Mass: 1395.45
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
• SMILES: COC(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc1C.CS(=O)(=O)c1ccc2n1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(F)c2OC(F)F)CC1
• InChI: InChI=1S/C27H29ClN2O3.C24H22F2N2O5S.C23H20F3N3O3/c1-18-16-19(7-9-21(18)26(2,3)32-4)25(31)29-14-11-27(12-15-29)24-6-5-13-30(24)22-10-8-20(28)17-23(22)33-27;1-34(30,31)21-11-10-20-24(33-19-9-5-3-7-17(19)28(20)21)12-14-27(15-13-24)22(29)16-6-2-4-8-18(16)32-23(25)26;1-28-19-14-5-2-3-8-18(14)32-23(16(19)13-27-28)9-11-29(12-10-23)21(30)15-6-4-7-17(24)20(15)31-22(25)26/h5-10,13,16-17H,11-12,14-15H2,1-4H3;2-11,23H,12-15H2,1H3;2-8,13,22H,9-12H2,1H3
• InChIKey: AXXCFOCCJXTLFZ-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 178.13 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.93
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone (CID 157265085) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is COC(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)cc1C.CS(=O)(=O)c1ccc2n1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(F)c2OC(F)F)CC1.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

The InChIKey is AXXCFOCCJXTLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3.C24H22F2N2O5S.C23H20F3N3O3/c1-18-16-19(7-9-21(18)26(2,3)32-4)25(31)29-14-11-27(12-15-29)24-6-5-13-30(24)22-10-8-20(28)17-23(22)33-27;1-34(30,31)21-11-10-20-24(33-19-9-5-3-7-17(19)28(20)21)12-14-27(15-13-24)22(29)16-6-2-4-8-18(16)32-23(25)26;1-28-19-14-5-2-3-8-18(14)32-23(16(19)13-27-28)9-11-29(12-10-23)21(30)15-6-4-7-17(24)20(15)31-22(25)26/h5-10,13,16-17H,11-12,14-15H2,1-4H3;2-11,23H,12-15H2,1H3;2-8,13,22H,9-12H2,1H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone has a molecular weight of 1396.93 g/mol, XLogP of 14.20, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[2-(difluoromethoxy)-3-fluorophenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone is sourced from PubChem (CID 157265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).