(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C100H107ClFN11O14 — CID 158411490

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 158411490) has the molecular formula C100H107ClFN11O14 and a molecular weight of 1741.47 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 158411490
• Molecular Formula: C100H107ClFN11O14
• Molecular Weight: 1741.47 g/mol
• Exact Mass: 1739.77
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1OCC(C)(C)OC.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c(C)cc1OC(C)C.Cc1ncoc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C
• InChI: InChI=1S/C28H31ClN2O5.C27H31N3O3.C25H25FN2O3.C20H20N4O3/c1-27(2,34-4)18-35-22-10-7-19(16-24(22)33-3)26(32)30-14-11-28(12-15-30)25-6-5-13-31(25)21-9-8-20(29)17-23(21)36-28;1-17(2)32-24-15-18(3)21(14-19(24)4)26(31)30-12-10-27(11-13-30)22-16-28-29(5)25(22)20-8-6-7-9-23(20)33-27;1-3-17-6-7-18(15-21(17)30-2)24(29)27-13-10-25(11-14-27)23-5-4-12-28(23)20-9-8-19(26)16-22(20)31-25;1-13-18(26-12-21-13)19(25)24-9-7-20(8-10-24)15-11-22-23(2)17(15)14-5-3-4-6-16(14)27-20/h5-10,13,16-17H,11-12,14-15,18H2,1-4H3;6-9,14-17H,10-13H2,1-5H3;4-9,12,15-16H,3,10-11,13-14H2,1-2H3;3-6,11-12H,7-10H2,1-2H3
• InChIKey: GZJGKMZWTQOVGI-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 235.84 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.47
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 158411490) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is CCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1OCC(C)(C)OC.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c(C)cc1OC(C)C.Cc1ncoc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is GZJGKMZWTQOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O5.C27H31N3O3.C25H25FN2O3.C20H20N4O3/c1-27(2,34-4)18-35-22-10-7-19(16-24(22)33-3)26(32)30-14-11-28(12-15-30)25-6-5-13-31(25)21-9-8-20(29)17-23(21)36-28;1-17(2)32-24-15-18(3)21(14-19(24)4)26(31)30-12-10-27(11-13-30)22-16-28-29(5)25(22)20-8-6-7-9-23(20)33-27;1-3-17-6-7-18(15-21(17)30-2)24(29)27-13-10-25(11-14-27)23-5-4-12-28(23)20-9-8-19(26)16-22(20)31-25;1-13-18(26-12-21-13)19(25)24-9-7-20(8-10-24)15-11-22-23(2)17(15)14-5-3-4-6-16(14)27-20/h5-10,13,16-17H,11-12,14-15,18H2,1-4H3;6-9,14-17H,10-13H2,1-5H3;4-9,12,15-16H,3,10-11,13-14H2,1-2H3;3-6,11-12H,7-10H2,1-2H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1741.47 g/mol, XLogP of 18.10, 13 rotatable bonds, 0 hydrogen bond donors, and 21 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)-[3-methoxy-4-(2-methoxy-2-methylpropoxy)phenyl]methanone;(2,5-dimethyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethyl-3-methoxyphenyl)-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(4-methyl-1,3-oxazol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 158411490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).