(2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C78H72Cl2N8O10 — CID 158596009

About (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 158596009) has the molecular formula C78H72Cl2N8O10 and a molecular weight of 1352.39 g/mol. Its IUPAC name is (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 158596009
• Molecular Formula: C78H72Cl2N8O10
• Molecular Weight: 1352.39 g/mol
• Exact Mass: 1350.47
• IUPAC Name: (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: COc1c(C)cccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.COc1cccc2cc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)oc12.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCc3ccccc3)cc2Cl)CC1
• InChI: InChI=1S/C29H26ClN3O3.C25H23N3O4.C24H23ClN2O3/c1-32-27-23-9-5-6-10-26(23)36-29(24(27)18-31-32)13-15-33(16-14-29)28(34)22-12-11-21(17-25(22)30)35-19-20-7-3-2-4-8-20;1-27-22-17-7-3-4-8-19(17)32-25(18(22)15-26-27)10-12-28(13-11-25)24(29)21-14-16-6-5-9-20(30-2)23(16)31-21;1-16-5-3-6-18(22(16)29-2)23(28)26-13-10-24(11-14-26)21-7-4-12-27(21)19-9-8-17(25)15-20(19)30-24/h2-12,17-18H,13-16,19H2,1H3;3-9,14-15H,10-13H2,1-2H3;3-9,12,15H,10-11,13-14H2,1-2H3
• InChIKey: HVANHHATEJYKLV-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 170.02 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.39
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 158596009) is (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is COc1c(C)cccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.COc1cccc2cc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)oc12.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCc3ccccc3)cc2Cl)CC1.

What is the InChIKey of (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is HVANHHATEJYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O3.C25H23N3O4.C24H23ClN2O3/c1-32-27-23-9-5-6-10-26(23)36-29(24(27)18-31-32)13-15-33(16-14-29)28(34)22-12-11-21(17-25(22)30)35-19-20-7-3-2-4-8-20;1-27-22-17-7-3-4-8-19(17)32-25(18(22)15-26-27)10-12-28(13-11-25)24(29)21-14-16-6-5-9-20(30-2)23(16)31-21;1-16-5-3-6-18(22(16)29-2)23(28)26-13-10-24(11-14-26)21-7-4-12-27(21)19-9-8-17(25)15-20(19)30-24/h2-12,17-18H,13-16,19H2,1H3;3-9,14-15H,10-13H2,1-2H3;3-9,12,15H,10-11,13-14H2,1-2H3.

What are the key properties of (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

(2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1352.39 g/mol, XLogP of 15.18, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-phenylmethoxyphenyl)-(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)-(2-methoxy-3-methylphenyl)methanone;(7-methoxy-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 158596009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).