(7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone

C96H151ClF2N8O7 — CID 167533012

About (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone

(7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone (PubChem CID 167533012) has the molecular formula C96H151ClF2N8O7 and a molecular weight of 1602.76 g/mol. Its IUPAC name is (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone
• PubChem CID: 167533012
• Molecular Formula: C96H151ClF2N8O7
• Molecular Weight: 1602.76 g/mol
• Exact Mass: 1601.14
• IUPAC Name: (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COc1cccc2[nH]c(C(=O)N3CC(C)(C)CCC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCCC4C3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCCC4CC3(C)C)cc12
• InChI: InChI=1S/C21H28N2O2.C20H23ClF2N2O.C20H26N2O2.C19H26N2O2.8C2H6/c1-21(2)12-14-7-4-5-8-15(14)13-23(21)20(24)18-11-16-17(22-18)9-6-10-19(16)25-3;1-18(2)11-19(6-8-20(22,23)9-7-19)12-25(18)17(26)15-10-13-4-3-5-14(21)16(13)24-15;1-20(2)15-8-5-4-7-13(15)12-22(20)19(23)17-11-14-16(21-17)9-6-10-18(14)24-3;1-18(2)9-10-19(3,4)21(12-18)17(22)15-11-13-14(20-15)7-6-8-16(13)23-5;8*1-2/h6,9-11,14-15,22H,4-5,7-8,12-13H2,1-3H3;3-5,10,24H,6-9,11-12H2,1-2H3;6,9-11,13,15,21H,4-5,7-8,12H2,1-3H3;6-8,11,20H,9-10,12H2,1-5H3;8*1-2H3
• InChIKey: AFLVNTCDWDBXRK-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 172.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1602.76
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone?

The IUPAC name of (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone (CID 167533012) is (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone.

What is the SMILES notation for (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone?

The canonical SMILES for (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone is CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)CC2(CCC(F)(F)CC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COc1cccc2[nH]c(C(=O)N3CC(C)(C)CCC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCCC4C3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCCC4CC3(C)C)cc12.

What is the InChIKey of (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone?

The InChIKey is AFLVNTCDWDBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.C20H23ClF2N2O.C20H26N2O2.C19H26N2O2.8C2H6/c1-21(2)12-14-7-4-5-8-15(14)13-23(21)20(24)18-11-16-17(22-18)9-6-10-19(16)25-3;1-18(2)11-19(6-8-20(22,23)9-7-19)12-25(18)17(26)15-10-13-4-3-5-14(21)16(13)24-15;1-20(2)15-8-5-4-7-13(15)12-22(20)19(23)17-11-14-16(21-17)9-6-10-18(14)24-3;1-18(2)9-10-19(3,4)21(12-18)17(22)15-11-13-14(20-15)7-6-8-16(13)23-5;8*1-2/h6,9-11,14-15,22H,4-5,7-8,12-13H2,1-3H3;3-5,10,24H,6-9,11-12H2,1-2H3;6,9-11,13,15,21H,4-5,7-8,12H2,1-3H3;6-8,11,20H,9-10,12H2,1-5H3;8*1-2H3.

What are the key properties of (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone?

(7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone has a molecular weight of 1602.76 g/mol, XLogP of 26.89, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-1H-indol-2-yl)-(8,8-difluoro-3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)methanone;(3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-methoxy-1H-indol-2-yl)-(2,2,5,5-tetramethylpiperidin-1-yl)methanone is sourced from PubChem (CID 167533012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).