(4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone

C106H107F7N16O11 — CID 157067022

About (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone

(4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone (PubChem CID 157067022) has the molecular formula C106H107F7N16O11 and a molecular weight of 1914.11 g/mol. Its IUPAC name is (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
• PubChem CID: 157067022
• Molecular Formula: C106H107F7N16O11
• Molecular Weight: 1914.11 g/mol
• Exact Mass: 1912.82
• IUPAC Name: (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
• SMILES: COC1CC(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)CCC1OCC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)ccc1C(C)(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc3cccnc3nc2C(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1
• InChI: InChI=1S/C28H35N3O4.C27H31N3O3.C26H21F4N5O2.C25H20F3N5O2/c1-19(2)18-34-24-10-8-20(16-25(24)33-3)27(32)30-14-12-28(13-15-30)26-11-9-21(17-29)31(26)22-6-4-5-7-23(22)35-28;1-26(2,3)20-11-10-18(16-23(20)32-5)25(31)30-14-12-27(13-15-30)21-17-29(4)28-24(21)19-8-6-7-9-22(19)33-27;1-33-22-18-4-2-3-5-21(18)37-25(20(22)15-31-33)10-12-34(13-11-25)24(36)19-14-32-35(23(19)26(28,29)30)17-8-6-16(27)7-9-17;1-32-20-16-6-2-3-7-19(16)35-24(18(20)14-30-32)8-11-33(12-9-24)23(34)17-13-15-5-4-10-29-22(15)31-21(17)25(26,27)28/h4-7,9,11,19-20,24-25H,8,10,12-16,18H2,1-3H3;6-11,16-17H,12-15H2,1-5H3;2-9,14-15H,10-13H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3
• InChIKey: ABZMNGFBJHOVLE-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 271.63 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.11
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone?

The IUPAC name of (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone (CID 157067022) is (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone.

What is the SMILES notation for (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone?

The canonical SMILES for (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone is COC1CC(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)CCC1OCC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)ccc1C(C)(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cc3cccnc3nc2C(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1.

What is the InChIKey of (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone?

The InChIKey is ABZMNGFBJHOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4.C27H31N3O3.C26H21F4N5O2.C25H20F3N5O2/c1-19(2)18-34-24-10-8-20(16-25(24)33-3)27(32)30-14-12-28(13-15-30)26-11-9-21(17-29)31(26)22-6-4-5-7-23(22)35-28;1-26(2,3)20-11-10-18(16-23(20)32-5)25(31)30-14-12-27(13-15-30)21-17-29(4)28-24(21)19-8-6-7-9-22(19)33-27;1-33-22-18-4-2-3-5-21(18)37-25(20(22)15-31-33)10-12-34(13-11-25)24(36)19-14-32-35(23(19)26(28,29)30)17-8-6-16(27)7-9-17;1-32-20-16-6-2-3-7-19(16)35-24(18(20)14-30-32)8-11-33(12-9-24)23(34)17-13-15-5-4-10-29-22(15)31-21(17)25(26,27)28/h4-7,9,11,19-20,24-25H,8,10,12-16,18H2,1-3H3;6-11,16-17H,12-15H2,1-5H3;2-9,14-15H,10-13H2,1H3;2-7,10,13-14H,8-9,11-12H2,1H3.

What are the key properties of (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone?

(4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone has a molecular weight of 1914.11 g/mol, XLogP of 18.86, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butyl-3-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[3-methoxy-4-(2-methylpropoxy)cyclohexanecarbonyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone is sourced from PubChem (CID 157067022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).