[3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone

C77H74F4N8O11 — CID 160859312

About [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone

[3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 160859312) has the molecular formula C77H74F4N8O11 and a molecular weight of 1363.48 g/mol. Its IUPAC name is [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 160859312
• Molecular Formula: C77H74F4N8O11
• Molecular Weight: 1363.48 g/mol
• Exact Mass: 1362.54
• IUPAC Name: [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC(C)(C)C#N.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ccn2C)cc1C(F)(F)F.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC3COC3)c(F)c2)CC1
• InChI: InChI=1S/C27H27N3O4.C25H23F3N2O3.C25H24FN3O4/c1-26(2,18-28)33-22-11-10-19(17-23(22)32-3)25(31)29-15-12-27(13-16-29)24-9-6-14-30(24)20-7-4-5-8-21(20)34-27;1-29-12-9-18-22(29)17-5-3-4-6-20(17)33-24(18)10-13-30(14-11-24)23(31)16-7-8-21(32-2)19(15-16)25(26,27)28;1-28-23-18-4-2-3-5-21(18)33-25(19(23)13-27-28)8-10-29(11-9-25)24(30)16-6-7-22(20(26)12-16)32-17-14-31-15-17/h4-11,14,17H,12-13,15-16H2,1-3H3;3-9,12,15H,10-11,13-14H2,1-2H3;2-7,12-13,17H,8-11,14-15H2,1H3
• InChIKey: SKGROFYYKMYYHQ-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 186.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1363.48
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone (CID 160859312) is [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone is COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC(C)(C)C#N.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ccn2C)cc1C(F)(F)F.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC3COC3)c(F)c2)CC1.

What is the InChIKey of [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is SKGROFYYKMYYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C25H23F3N2O3.C25H24FN3O4/c1-26(2,18-28)33-22-11-10-19(17-23(22)32-3)25(31)29-15-12-27(13-16-29)24-9-6-14-30(24)20-7-4-5-8-21(20)34-27;1-29-12-9-18-22(29)17-5-3-4-6-20(17)33-24(18)10-13-30(14-11-24)23(31)16-7-8-21(32-2)19(15-16)25(26,27)28;1-28-23-18-4-2-3-5-21(18)33-25(19(23)13-27-28)8-10-29(11-9-25)24(30)16-6-7-22(20(26)12-16)32-17-14-31-15-17/h4-11,14,17H,12-13,15-16H2,1-3H3;3-9,12,15H,10-11,13-14H2,1-2H3;2-7,12-13,17H,8-11,14-15H2,1H3.

What are the key properties of [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone?

[3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1363.48 g/mol, XLogP of 13.46, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-4-(oxetan-3-yloxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]-2-methylpropanenitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[4,3-b]pyrrole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 160859312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).