(2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C₁₀₄H₁₀₈FN₁₅O₁₂ — CID 158141468

About (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 158141468) has the molecular formula C₁₀₄H₁₀₈FN₁₅O₁₂ and a molecular weight of 1779.10 g/mol. Its IUPAC name is (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 158141468
• Molecular Formula: C₁₀₄H₁₀₈FN₁₅O₁₂
• Molecular Weight: 1779.10 g/mol
• Exact Mass: 1777.83
• IUPAC Name: (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c(F)c1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCC(C)C.COc1ccc(-n2ncc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)c2C)cc1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cn(C)c3cccnc23)CC1
• InChI: InChI=1S/C28H32N2O4.C27H27N5O3.C25H26FN3O3.C24H23N5O2/c1-20(2)12-18-33-24-11-10-21(19-25(24)32-3)27(31)29-16-13-28(14-17-29)26-9-6-15-30(26)22-7-4-5-8-23(22)34-28;1-18-22(16-29-32(18)19-8-10-20(34-3)11-9-19)26(33)31-14-12-27(13-15-31)23-17-28-30(2)25(23)21-6-4-5-7-24(21)35-27;1-16(2)31-17-8-9-18(21(26)14-17)24(30)29-12-10-25(11-13-29)20-15-27-28(3)23(20)19-6-4-5-7-22(19)32-25;1-27-15-17(21-19(27)7-5-11-25-21)23(30)29-12-9-24(10-13-29)18-14-26-28(2)22(18)16-6-3-4-8-20(16)31-24/h4-11,15,19-20H,12-14,16-18H2,1-3H3;4-11,16-17H,12-15H2,1-3H3;4-9,14-16H,10-13H2,1-3H3;3-8,11,14-15H,9-10,12-13H2,1-2H3
• InChIKey: FTZMIUSJHNPJED-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 249.11 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.10
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 158141468) is (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

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

The canonical SMILES for (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c(F)c1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCC(C)C.COc1ccc(-n2ncc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)c2C)cc1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cn(C)c3cccnc23)CC1.

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

The InChIKey is FTZMIUSJHNPJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4.C27H27N5O3.C25H26FN3O3.C24H23N5O2/c1-20(2)12-18-33-24-11-10-21(19-25(24)32-3)27(31)29-16-13-28(14-17-29)26-9-6-15-30(26)22-7-4-5-8-23(22)34-28;1-18-22(16-29-32(18)19-8-10-20(34-3)11-9-19)26(33)31-14-12-27(13-15-31)23-17-28-30(2)25(23)21-6-4-5-7-24(21)35-27;1-16(2)31-17-8-9-18(21(26)14-17)24(30)29-12-10-25(11-13-29)20-15-27-28(3)23(20)19-6-4-5-7-22(19)32-25;1-27-15-17(21-19(27)7-5-11-25-21)23(30)29-12-9-24(10-13-29)18-14-26-28(2)22(18)16-6-3-4-8-20(16)31-24/h4-11,15,19-20H,12-14,16-18H2,1-3H3;4-11,16-17H,12-15H2,1-3H3;4-9,14-16H,10-13H2,1-3H3;3-8,11,14-15H,9-10,12-13H2,1-2H3.

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

(2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1779.10 g/mol, XLogP of 17.58, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 158141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158141468 — identifiers, structure, computed properties (public domain)

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