8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C68H69Cl3F3N9O6 — CID 162227168

About 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone

8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 162227168) has the molecular formula C68H69Cl3F3N9O6 and a molecular weight of 1271.71 g/mol. Its IUPAC name is 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 162227168
• Molecular Formula: C68H69Cl3F3N9O6
• Molecular Weight: 1271.71 g/mol
• Exact Mass: 1269.44
• IUPAC Name: 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: CC(F)(F)c1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2cc4cc(Cl)ccc4[nH]2)CC3)cc1F.Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cc4cc(Cl)ccc4[nH]2)C3)cc1.O=C1CC(=O)C2(CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)N1
• InChI: InChI=1S/C27H27ClF3N3O2.C24H26ClN3O.C17H16ClN3O3/c1-26(30,31)20-4-2-17(15-21(20)29)24(35)33-10-6-27(7-11-33)8-12-34(13-9-27)25(36)23-16-18-14-19(28)3-5-22(18)32-23;1-17-2-4-18(5-3-17)14-27-10-8-24(9-11-27)15-28(16-24)23(29)22-13-19-12-20(25)6-7-21(19)26-22;18-11-1-2-12-10(7-11)8-13(19-12)16(24)21-5-3-17(4-6-21)14(22)9-15(23)20-17/h2-5,14-16,32H,6-13H2,1H3;2-7,12-13,26H,8-11,14-16H2,1H3;1-2,7-8,19H,3-6,9H2,(H,20,23)
• InChIKey: ZUXKCVMVTJPHTK-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 178.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.71
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 162227168) is 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is CC(F)(F)c1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)c2cc4cc(Cl)ccc4[nH]2)CC3)cc1F.Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cc4cc(Cl)ccc4[nH]2)C3)cc1.O=C1CC(=O)C2(CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)N1.

What is the InChIKey of 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is ZUXKCVMVTJPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N3O2.C24H26ClN3O.C17H16ClN3O3/c1-26(30,31)20-4-2-17(15-21(20)29)24(35)33-10-6-27(7-11-33)8-12-34(13-9-27)25(36)23-16-18-14-19(28)3-5-22(18)32-23;1-17-2-4-18(5-3-17)14-27-10-8-24(9-11-27)15-28(16-24)23(29)22-13-19-12-20(25)6-7-21(19)26-22;18-11-1-2-12-10(7-11)8-13(19-12)16(24)21-5-3-17(4-6-21)14(22)9-15(23)20-17/h2-5,14-16,32H,6-13H2,1H3;2-7,12-13,26H,8-11,14-16H2,1H3;1-2,7-8,19H,3-6,9H2,(H,20,23).

What are the key properties of 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone?

8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 1271.71 g/mol, XLogP of 12.98, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 162227168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).