(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen

C102H109F4N11O17 — CID 159441034

About (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen

(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen (PubChem CID 159441034) has the molecular formula C102H109F4N11O17 and a molecular weight of 1837.05 g/mol. Its IUPAC name is (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen
• PubChem CID: 159441034
• Molecular Formula: C102H109F4N11O17
• Molecular Weight: 1837.05 g/mol
• Exact Mass: 1835.79
• IUPAC Name: (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen
• SMILES: CC(C)c1cccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c1O.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCOC)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCCO.Cn1ncc2c1-c1ccc(F)cc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.[H][H]
• InChI: InChI=1S/C28H33N3O6.C26H28N2O5.C25H27N3O3.C23H19F4N3O3.H2/c1-33-15-14-31-26-21-6-4-5-7-23(21)37-28(22(26)19-29-31)10-12-30(13-11-28)27(32)20-8-9-24(25(18-20)35-3)36-17-16-34-2;1-31-23-18-19(9-10-22(23)32-17-5-16-29)25(30)27-14-11-26(12-15-27)24-8-4-13-28(24)20-6-2-3-7-21(20)33-26;1-16(2)17-8-6-9-19(23(17)29)24(30)28-13-11-25(12-14-28)20-15-26-27(3)22(20)18-7-4-5-10-21(18)31-25;1-29-20-15-7-6-14(24)12-19(15)32-22(17(20)13-28-29)8-10-30(11-9-22)21(31)16-4-2-3-5-18(16)33-23(25,26)27;/h4-9,18-19H,10-17H2,1-3H3;2-4,6-10,13,18,29H,5,11-12,14-17H2,1H3;4-10,15-16,29H,11-14H2,1-3H3;2-7,12-13H,8-11H2,1H3;1H
• InChIKey: LSEGPTASCROAOU-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 281.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.05
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen?

The IUPAC name of (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen (CID 159441034) is (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen?

The canonical SMILES for (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen is CC(C)c1cccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)c1O.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCOC)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCCO.Cn1ncc2c1-c1ccc(F)cc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.[H][H].

What is the InChIKey of (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen?

The InChIKey is LSEGPTASCROAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6.C26H28N2O5.C25H27N3O3.C23H19F4N3O3.H2/c1-33-15-14-31-26-21-6-4-5-7-23(21)37-28(22(26)19-29-31)10-12-30(13-11-28)27(32)20-8-9-24(25(18-20)35-3)36-17-16-34-2;1-31-23-18-19(9-10-22(23)32-17-5-16-29)25(30)27-14-11-26(12-15-27)24-8-4-13-28(24)20-6-2-3-7-21(20)33-26;1-16(2)17-8-6-9-19(23(17)29)24(30)28-13-11-25(12-14-28)20-15-26-27(3)22(20)18-7-4-5-10-21(18)31-25;1-29-20-15-7-6-14(24)12-19(15)32-22(17(20)13-28-29)8-10-30(11-9-22)21(31)16-4-2-3-5-18(16)33-23(25,26)27;/h4-9,18-19H,10-17H2,1-3H3;2-4,6-10,13,18,29H,5,11-12,14-17H2,1H3;4-10,15-16,29H,11-14H2,1-3H3;2-7,12-13H,8-11H2,1H3;1H.

What are the key properties of (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen?

(7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen has a molecular weight of 1837.05 g/mol, XLogP of 16.86, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (7-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(2-hydroxy-3-propan-2-ylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(3-hydroxypropoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(2-methoxyethoxy)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 159441034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).