3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

C103H98F6N10O14S — CID 162226259

About 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (PubChem CID 162226259) has the molecular formula C103H98F6N10O14S and a molecular weight of 1846.03 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• PubChem CID: 162226259
• Molecular Formula: C103H98F6N10O14S
• Molecular Weight: 1846.03 g/mol
• Exact Mass: 1844.69
• IUPAC Name: 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C2C(C#N)=CC=C23)cc1OC.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(F)(F)F.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2OCCC3)CC1.O=C(c1ccc(S(=O)(=O)C2CCOC2)cc1)N1CCC2(CC1)Oc1ccccc1-n1c(C(F)(F)F)ccc12
• InChI: InChI=1S/C27H25F3N2O5S.C27H26N2O3.C25H25N3O3.C24H22F3N3O3/c28-27(29,30)24-10-9-23-26(37-22-4-2-1-3-21(22)32(23)24)12-14-31(15-13-26)25(33)18-5-7-19(8-6-18)38(34,35)20-11-16-36-17-20;1-3-18-8-9-19(16-24(18)31-2)26(30)29-14-12-27(13-15-29)22-11-10-20(17-28)25(22)21-6-4-5-7-23(21)32-27;1-27-22-18-8-2-3-10-21(18)31-25(20(22)16-26-27)11-13-28(14-12-25)24(29)19-9-4-6-17-7-5-15-30-23(17)19;1-15-13-16(7-8-19(15)33-24(25,26)27)22(31)30-11-9-23(10-12-30)18-14-28-29(2)21(18)17-5-3-4-6-20(17)32-23/h1-10,20H,11-17H2;4-11,16,25H,3,12-15H2,1-2H3;2-4,6,8-10,16H,5,7,11-15H2,1H3;3-8,13-14H,9-12H2,1-2H3
• InChIKey: ZUUNIEIOWYEHSK-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 253.58 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.03
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (CID 162226259) is 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is CCc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2C2C(C#N)=CC=C23)cc1OC.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(F)(F)F.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2OCCC3)CC1.O=C(c1ccc(S(=O)(=O)C2CCOC2)cc1)N1CCC2(CC1)Oc1ccccc1-n1c(C(F)(F)F)ccc12.

What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The InChIKey is ZUUNIEIOWYEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O5S.C27H26N2O3.C25H25N3O3.C24H22F3N3O3/c28-27(29,30)24-10-9-23-26(37-22-4-2-1-3-21(22)32(23)24)12-14-31(15-13-26)25(33)18-5-7-19(8-6-18)38(34,35)20-11-16-36-17-20;1-3-18-8-9-19(16-24(18)31-2)26(30)29-14-12-27(13-15-29)22-11-10-20(17-28)25(22)21-6-4-5-7-23(21)32-27;1-27-22-18-8-2-3-10-21(18)31-25(20(22)16-26-27)11-13-28(14-12-25)24(29)19-9-4-6-17-7-5-15-30-23(17)19;1-15-13-16(7-8-19(15)33-24(25,26)27)22(31)30-11-9-23(10-12-30)18-14-28-29(2)21(18)17-5-3-4-6-20(17)32-23/h1-10,20H,11-17H2;4-11,16,25H,3,12-15H2,1-2H3;2-4,6,8-10,16H,5,7,11-15H2,1H3;3-8,13-14H,9-12H2,1-2H3.

What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone has a molecular weight of 1846.03 g/mol, XLogP of 18.14, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromen-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1'-(4-ethyl-3-methoxybenzoyl)spiro[9bH-cyclopenta[c]chromene-4,4'-piperidine]-1-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methyl-4-(trifluoromethoxy)phenyl]methanone;[4-(oxolan-3-ylsulfonyl)phenyl]-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is sourced from PubChem (CID 162226259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).