(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen

C74H75F5N8O11S — CID 158526617

About (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen

(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen (PubChem CID 158526617) has the molecular formula C74H75F5N8O11S and a molecular weight of 1379.52 g/mol. Its IUPAC name is (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen
• PubChem CID: 158526617
• Molecular Formula: C74H75F5N8O11S
• Molecular Weight: 1379.52 g/mol
• Exact Mass: 1378.52
• IUPAC Name: (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen
• SMILES: CCn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccccc2OC)CC1.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)cc1.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C.[H][H]
• InChI: InChI=1S/C26H27FN2O4.C24H22F3N3O4S.C24H24FN3O3.H2/c1-18-16-19(5-8-22(18)32-15-14-31-2)25(30)28-12-9-26(10-13-28)24-4-3-11-29(24)21-7-6-20(27)17-23(21)33-26;1-28-35(32,33)17-8-6-16(7-9-17)22(31)29-14-12-23(13-15-29)20-10-11-21(24(25,26)27)30(20)18-4-2-3-5-19(18)34-23;1-3-28-22-18-14-16(25)8-9-21(18)31-24(19(22)15-26-28)10-12-27(13-11-24)23(29)17-6-4-5-7-20(17)30-2;/h3-8,11,16-17H,9-10,12-15H2,1-2H3;2-11,28H,12-15H2,1H3;4-9,14-15H,3,10-13H2,1-2H3;1H
• InChIKey: HMWAFMSLSHKQLD-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 190.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.52
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen?

The IUPAC name of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen (CID 158526617) is (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen?

The canonical SMILES for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen is CCn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccccc2OC)CC1.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)cc1.COCCOc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C.[H][H].

What is the InChIKey of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen?

The InChIKey is HMWAFMSLSHKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4.C24H22F3N3O4S.C24H24FN3O3.H2/c1-18-16-19(5-8-22(18)32-15-14-31-2)25(30)28-12-9-26(10-13-28)24-4-3-11-29(24)21-7-6-20(27)17-23(21)33-26;1-28-35(32,33)17-8-6-16(7-9-17)22(31)29-14-12-23(13-15-29)20-10-11-21(24(25,26)27)30(20)18-4-2-3-5-19(18)34-23;1-3-28-22-18-14-16(25)8-9-21(18)31-24(19(22)15-26-28)10-12-27(13-11-24)23(29)17-6-4-5-7-20(17)30-2;/h3-8,11,16-17H,9-10,12-15H2,1-2H3;2-11,28H,12-15H2,1H3;4-9,14-15H,3,10-13H2,1-2H3;1H.

What are the key properties of (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen?

(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen has a molecular weight of 1379.52 g/mol, XLogP of 12.89, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methoxyphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxyethoxy)-3-methylphenyl]methanone;N-methyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158526617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).