(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen

C96H89ClF3N15O10 — CID 158187158

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen (PubChem CID 158187158) has the molecular formula C96H89ClF3N15O10 and a molecular weight of 1705.31 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen
• PubChem CID: 158187158
• Molecular Formula: C96H89ClF3N15O10
• Molecular Weight: 1705.31 g/mol
• Exact Mass: 1703.66
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen
• SMILES: Cc1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c(C(F)(F)F)c1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(=O)n(C)c2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ncoc2-c2ccccc2)CC1.[H][H]
• InChI: InChI=1S/C25H23N5O2.C25H22N4O3.C24H20ClF3N2O2.C22H22N4O3.H2/c1-29-23-18-9-5-6-10-22(18)32-25(19(23)16-26-29)11-13-30(14-12-25)24(31)21-15-20(27-28-21)17-7-3-2-4-8-17;1-28-22-18-9-5-6-10-20(18)32-25(19(22)15-27-28)11-13-29(14-12-25)24(30)21-23(31-16-26-21)17-7-3-2-4-8-17;1-15-4-6-17(18(13-15)24(26,27)28)22(31)29-11-8-23(9-12-29)21-3-2-10-30(21)19-7-5-16(25)14-20(19)32-23;1-24-14-15(7-8-19(24)27)21(28)26-11-9-22(10-12-26)17-13-23-25(2)20(17)16-5-3-4-6-18(16)29-22;/h2-10,15-16H,11-14H2,1H3,(H,27,28);2-10,15-16H,11-14H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3;3-8,13-14H,9-12H2,1-2H3;1H
• InChIKey: FZGYAIVBRYWGIG-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 253.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.31
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen (CID 158187158) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen is Cc1ccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c(C(F)(F)F)c1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(=O)n(C)c2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ncoc2-c2ccccc2)CC1.[H][H].

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen?

The InChIKey is FZGYAIVBRYWGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2.C25H22N4O3.C24H20ClF3N2O2.C22H22N4O3.H2/c1-29-23-18-9-5-6-10-22(18)32-25(19(23)16-26-29)11-13-30(14-12-25)24(31)21-15-20(27-28-21)17-7-3-2-4-8-17;1-28-22-18-9-5-6-10-20(18)32-25(19(22)15-27-28)11-13-29(14-12-25)24(30)21-23(31-16-26-21)17-7-3-2-4-8-17;1-15-4-6-17(18(13-15)24(26,27)28)22(31)29-11-8-23(9-12-29)21-3-2-10-30(21)19-7-5-16(25)14-20(19)32-23;1-24-14-15(7-8-19(24)27)21(28)26-11-9-22(10-12-26)17-13-23-25(2)20(17)16-5-3-4-6-18(16)29-22;/h2-10,15-16H,11-14H2,1H3,(H,27,28);2-10,15-16H,11-14H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3;3-8,13-14H,9-12H2,1-2H3;1H.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen has a molecular weight of 1705.31 g/mol, XLogP of 16.80, 6 rotatable bonds, 1 hydrogen bond donors, and 20 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-methyl-2-(trifluoromethyl)phenyl]methanone;1-methyl-5-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)pyridin-2-one;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-1,3-oxazol-4-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone;molecular hydrogen is sourced from PubChem (CID 158187158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).