(4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C95H94ClFN14O12S — CID 161496803

About (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 161496803) has the molecular formula C95H94ClFN14O12S and a molecular weight of 1710.40 g/mol. Its IUPAC name is (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 161496803
• Molecular Formula: C95H94ClFN14O12S
• Molecular Weight: 1710.40 g/mol
• Exact Mass: 1708.66
• IUPAC Name: (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: COc1cc(F)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.COc1ncccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)C(C)(C)C)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3cnn(C)c23)CC1
• InChI: InChI=1S/C26H29N3O4S.C24H23N5O2.C23H20ClFN2O3.C22H22N4O3/c1-25(2,3)34(31,32)19-11-9-18(10-12-19)24(30)29-15-13-26(14-16-29)21-17-27-28(4)23(21)20-7-5-6-8-22(20)33-26;1-27-21-16(14-25-27)6-5-8-18(21)23(30)29-12-10-24(11-13-29)19-15-26-28(2)22(19)17-7-3-4-9-20(17)31-24;1-29-19-14-16(25)5-6-17(19)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)18-7-4-15(24)13-20(18)30-23;1-25-19-15-6-3-4-8-18(15)29-22(17(19)14-24-25)9-12-26(13-10-22)21(27)16-7-5-11-23-20(16)28-2/h5-12,17H,13-16H2,1-4H3;3-9,14-15H,10-13H2,1-2H3;2-7,10,13-14H,8-9,11-12H2,1H3;3-8,11,14H,9-10,12-13H2,1-2H3
• InChIKey: WGHYBAROTKEDKK-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 259.86 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.40
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 161496803) is (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is COc1cc(F)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.COc1ncccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)C(C)(C)C)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3cnn(C)c23)CC1.

What is the InChIKey of (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is WGHYBAROTKEDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S.C24H23N5O2.C23H20ClFN2O3.C22H22N4O3/c1-25(2,3)34(31,32)19-11-9-18(10-12-19)24(30)29-15-13-26(14-16-29)21-17-27-28(4)23(21)20-7-5-6-8-22(20)33-26;1-27-21-16(14-25-27)6-5-8-18(21)23(30)29-12-10-24(11-13-29)19-15-26-28(2)22(19)17-7-3-4-9-20(17)31-24;1-29-19-14-16(25)5-6-17(19)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)18-7-4-15(24)13-20(18)30-23;1-25-19-15-6-3-4-8-18(15)29-22(17(19)14-24-25)9-12-26(13-10-22)21(27)16-7-5-11-23-20(16)28-2/h5-12,17H,13-16H2,1-4H3;3-9,14-15H,10-13H2,1-2H3;2-7,10,13-14H,8-9,11-12H2,1H3;3-8,11,14H,9-10,12-13H2,1-2H3.

What are the key properties of (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

(4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1710.40 g/mol, XLogP of 15.50, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methoxyphenyl)methanone;(2-methoxy-3-pyridinyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindazol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 161496803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).