3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

C111H123Cl4N11O8 — CID 163693347

About 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (PubChem CID 163693347) has the molecular formula C111H123Cl4N11O8 and a molecular weight of 1881.09 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• PubChem CID: 163693347
• Molecular Formula: C111H123Cl4N11O8
• Molecular Weight: 1881.09 g/mol
• Exact Mass: 1877.83
• IUPAC Name: 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• SMILES: CC(=O)Cn1cccc1CNC(=O)C1=C(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3c(C)nn(C)c3C)c2C1.CC(=O)c1ccc(CCC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3cccc(-c4c(C)nn(C)c4C)c3C2)cc1.Cc1ccc(NC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3C2)cc1N1CCN(C)CC1
• InChI: InChI=1S/C39H45Cl2N5O2.C37H39ClN2O3.C35H39ClN4O3/c1-23-10-11-28(21-35(23)46-16-14-44(6)15-17-46)42-39(47)33-22-32-31(12-13-34(40)37(32)36-26(4)43-45(7)27(36)5)30(33)9-8-18-48-29-19-24(2)38(41)25(3)20-29;1-22-19-29(20-23(2)37(22)38)43-18-8-11-31-30-9-7-10-32(36-24(3)39-40(6)25(36)4)33(30)21-34(31)35(42)17-14-27-12-15-28(16-13-27)26(5)41;1-21-16-27(17-22(2)34(21)36)43-15-9-13-29-28-11-7-12-30(33-24(4)38-39(6)25(33)5)31(28)18-32(29)35(42)37-19-26-10-8-14-40(26)20-23(3)41/h10-13,19-21H,8-9,14-18,22H2,1-7H3,(H,42,47);7,9-10,12-13,15-16,19-20H,8,11,14,17-18,21H2,1-6H3;7-8,10-12,14,16-17H,9,13,15,18-20H2,1-6H3,(H,37,42)
• InChIKey: JUVZHGKGTXHQCO-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 201.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 31
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.09
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The IUPAC name of 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (CID 163693347) is 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

What is the SMILES notation for 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The canonical SMILES for 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is CC(=O)Cn1cccc1CNC(=O)C1=C(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3c(C)nn(C)c3C)c2C1.CC(=O)c1ccc(CCC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3cccc(-c4c(C)nn(C)c4C)c3C2)cc1.Cc1ccc(NC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3C2)cc1N1CCN(C)CC1.

What is the InChIKey of 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The InChIKey is JUVZHGKGTXHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45Cl2N5O2.C37H39ClN2O3.C35H39ClN4O3/c1-23-10-11-28(21-35(23)46-16-14-44(6)15-17-46)42-39(47)33-22-32-31(12-13-34(40)37(32)36-26(4)43-45(7)27(36)5)30(33)9-8-18-48-29-19-24(2)38(41)25(3)20-29;1-22-19-29(20-23(2)37(22)38)43-18-8-11-31-30-9-7-10-32(36-24(3)39-40(6)25(36)4)33(30)21-34(31)35(42)17-14-27-12-15-28(16-13-27)26(5)41;1-21-16-27(17-22(2)34(21)36)43-15-9-13-29-28-11-7-12-30(33-24(4)38-39(6)25(33)5)31(28)18-32(29)35(42)37-19-26-10-8-14-40(26)20-23(3)41/h10-13,19-21H,8-9,14-18,22H2,1-7H3,(H,42,47);7,9-10,12-13,15-16,19-20H,8,11,14,17-18,21H2,1-6H3;7-8,10-12,14,16-17H,9,13,15,18-20H2,1-6H3,(H,37,42).

What are the key properties of 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide has a molecular weight of 1881.09 g/mol, XLogP of 23.89, 31 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetylphenyl)-1-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-inden-2-yl]propan-1-one;6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[1-(2-oxopropyl)pyrrol-2-yl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is sourced from PubChem (CID 163693347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).