(4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone

C103H107Cl2F3N10O16S — CID 159757956

About (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone

(4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone (PubChem CID 159757956) has the molecular formula C103H107Cl2F3N10O16S and a molecular weight of 1901.01 g/mol. Its IUPAC name is (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 159757956
• Molecular Formula: C103H107Cl2F3N10O16S
• Molecular Weight: 1901.01 g/mol
• Exact Mass: 1898.69
• IUPAC Name: (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone
• SMILES: COCCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1OC.COCCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(C(C)(C)C)c(OC)c2)CC1.CS(=O)(=O)c1cc(Cl)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.Cc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C
• InChI: InChI=1S/C29H35N3O4.C27H30N2O5.C24H22F3N3O3.C23H20Cl2N2O4S/c1-28(2,3)22-11-10-20(18-25(22)35-5)27(33)31-14-12-29(13-15-31)23-19-30-32(16-17-34-4)26(23)21-8-6-7-9-24(21)36-29;1-31-17-6-18-33-23-11-10-20(19-24(23)32-2)26(30)28-15-12-27(13-16-28)25-9-5-14-29(25)21-7-3-4-8-22(21)34-27;1-15-13-16(32-24(25,26)27)7-8-17(15)22(31)30-11-9-23(10-12-30)19-14-28-29(2)21(19)18-5-3-4-6-20(18)33-23;1-32(29,30)20-14-16(25)4-6-17(20)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)18-7-5-15(24)13-19(18)31-23/h6-11,18-19H,12-17H2,1-5H3;3-5,7-11,14,19H,6,12-13,15-18H2,1-2H3;3-8,13-14H,9-12H2,1-2H3;2-7,10,13-14H,8-9,11-12H2,1H3
• InChIKey: NEMWGYCXJWHYTE-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 253.18 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.01
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone (CID 159757956) is (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone is COCCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1OC.COCCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(C(C)(C)C)c(OC)c2)CC1.CS(=O)(=O)c1cc(Cl)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.Cc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.

What is the InChIKey of (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone?

The InChIKey is NEMWGYCXJWHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4.C27H30N2O5.C24H22F3N3O3.C23H20Cl2N2O4S/c1-28(2,3)22-11-10-20(18-25(22)35-5)27(33)31-14-12-29(13-15-31)23-19-30-32(16-17-34-4)26(23)21-8-6-7-9-24(21)36-29;1-31-17-6-18-33-23-11-10-20(19-24(23)32-2)26(30)28-15-12-27(13-16-28)25-9-5-14-29(25)21-7-3-4-8-22(21)34-27;1-15-13-16(32-24(25,26)27)7-8-17(15)22(31)30-11-9-23(10-12-30)19-14-28-29(2)21(19)18-5-3-4-6-20(18)33-23;1-32(29,30)20-14-16(25)4-6-17(20)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)18-7-5-15(24)13-19(18)31-23/h6-11,18-19H,12-17H2,1-5H3;3-5,7-11,14,19H,6,12-13,15-18H2,1-2H3;3-8,13-14H,9-12H2,1-2H3;2-7,10,13-14H,8-9,11-12H2,1H3.

What are the key properties of (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone?

(4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 1901.01 g/mol, XLogP of 18.98, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butyl-3-methoxyphenyl)-[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone;(4-chloro-2-methylsulfonylphenyl)-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;[3-methoxy-4-(3-methoxypropoxy)phenyl]-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)-[2-methyl-4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 159757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).