(2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone

C77H77F4N11O9 — CID 158490751

About (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone

(2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone (PubChem CID 158490751) has the molecular formula C77H77F4N11O9 and a molecular weight of 1376.52 g/mol. Its IUPAC name is (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone.

Molecular Properties

• Compound Name: (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
• PubChem CID: 158490751
• Molecular Formula: C77H77F4N11O9
• Molecular Weight: 1376.52 g/mol
• Exact Mass: 1375.58
• IUPAC Name: (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)c(F)c1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC(C)C.Cc1nc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)nn1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H23F3N6O2.C26H28N2O4.C25H26FN3O3/c1-16-31-23(32-35(16)18-7-5-6-17(14-18)26(27,28)29)24(36)34-12-10-25(11-13-34)20-15-30-33(2)22(20)19-8-3-4-9-21(19)37-25;1-18(2)31-22-11-10-19(17-23(22)30-3)25(29)27-15-12-26(13-16-27)24-9-6-14-28(24)20-7-4-5-8-21(20)32-26;1-16(2)31-17-8-9-18(21(26)14-17)24(30)29-12-10-25(11-13-29)20-15-28(3)27-23(20)19-6-4-5-7-22(19)32-25/h3-9,14-15H,10-13H2,1-2H3;4-11,14,17-18H,12-13,15-16H2,1-3H3;4-9,14-16H,10-13H2,1-3H3
• InChIKey: HIQXIFCCRWPIGP-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 187.59 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.52
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone?

The IUPAC name of (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone (CID 158490751) is (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone.

What is the SMILES notation for (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone?

The canonical SMILES for (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)c(F)c1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC(C)C.Cc1nc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)nn1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone?

The InChIKey is HIQXIFCCRWPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2.C26H28N2O4.C25H26FN3O3/c1-16-31-23(32-35(16)18-7-5-6-17(14-18)26(27,28)29)24(36)34-12-10-25(11-13-34)20-15-30-33(2)22(20)19-8-3-4-9-21(19)37-25;1-18(2)31-22-11-10-19(17-23(22)30-3)25(29)27-15-12-26(13-16-27)24-9-6-14-28(24)20-7-4-5-8-21(20)32-26;1-16(2)31-17-8-9-18(21(26)14-17)24(30)29-12-10-25(11-13-29)20-15-28(3)27-23(20)19-6-4-5-7-22(19)32-25/h3-9,14-15H,10-13H2,1-2H3;4-11,14,17-18H,12-13,15-16H2,1-3H3;4-9,14-16H,10-13H2,1-3H3.

What are the key properties of (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone?

(2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone has a molecular weight of 1376.52 g/mol, XLogP of 13.85, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluoro-4-propan-2-yloxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 158490751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).