6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

C112H113Cl5N12O8 — CID 163466638

About 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (PubChem CID 163466638) has the molecular formula C112H113Cl5N12O8 and a molecular weight of 1932.48 g/mol. Its IUPAC name is 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• PubChem CID: 163466638
• Molecular Formula: C112H113Cl5N12O8
• Molecular Weight: 1932.48 g/mol
• Exact Mass: 1928.72
• IUPAC Name: 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• SMILES: Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C4CCc5ccccc5C4)nc3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccc(Cl)nc3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)Nc3cc(C(=O)O)c4cc[nH]c4c3)Cc3c2ccc(Cl)c3-c2c(C)nn(C)c2C)cc(C)c1Cl
• InChI: InChI=1S/C43H45ClN4O2.C36H34Cl2N4O4.C33H34Cl2N4O2/c1-26-20-34(21-27(2)42(26)44)50-19-9-14-36-35-12-8-13-37(41-28(3)47-48(5)29(41)4)38(35)23-39(36)43(49)46-25-30-15-18-40(45-24-30)33-17-16-31-10-6-7-11-32(31)22-33;1-18-13-23(14-19(2)34(18)38)46-12-6-7-24-25-8-9-30(37)33(32-20(3)41-42(5)21(32)4)27(25)17-28(24)35(43)40-22-15-29(36(44)45)26-10-11-39-31(26)16-22;1-19-14-24(15-20(2)32(19)35)41-13-7-10-26-25-8-6-9-27(31-21(3)38-39(5)22(31)4)28(25)16-29(26)33(40)37-18-23-11-12-30(34)36-17-23/h6-8,10-13,15,18,20-21,24,33H,9,14,16-17,19,22-23,25H2,1-5H3,(H,46,49);8-11,13-16,39H,6-7,12,17H2,1-5H3,(H,40,43)(H,44,45);6,8-9,11-12,14-15,17H,7,10,13,16,18H2,1-5H3,(H,37,40)
• InChIKey: BTDWKSOXINFBPE-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 247.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1932.48
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The IUPAC name of 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (CID 163466638) is 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

What is the SMILES notation for 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The canonical SMILES for 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C4CCc5ccccc5C4)nc3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccc(Cl)nc3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)Nc3cc(C(=O)O)c4cc[nH]c4c3)Cc3c2ccc(Cl)c3-c2c(C)nn(C)c2C)cc(C)c1Cl.

What is the InChIKey of 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The InChIKey is BTDWKSOXINFBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45ClN4O2.C36H34Cl2N4O4.C33H34Cl2N4O2/c1-26-20-34(21-27(2)42(26)44)50-19-9-14-36-35-12-8-13-37(41-28(3)47-48(5)29(41)4)38(35)23-39(36)43(49)46-25-30-15-18-40(45-24-30)33-17-16-31-10-6-7-11-32(31)22-33;1-18-13-23(14-19(2)34(18)38)46-12-6-7-24-25-8-9-30(37)33(32-20(3)41-42(5)21(32)4)27(25)17-28(24)35(43)40-22-15-29(36(44)45)26-10-11-39-31(26)16-22;1-19-14-24(15-20(2)32(19)35)41-13-7-10-26-25-8-6-9-27(31-21(3)38-39(5)22(31)4)28(25)16-29(26)33(40)37-18-23-11-12-30(34)36-17-23/h6-8,10-13,15,18,20-21,24,33H,9,14,16-17,19,22-23,25H2,1-5H3,(H,46,49);8-11,13-16,39H,6-7,12,17H2,1-5H3,(H,40,43)(H,44,45);6,8-9,11-12,14-15,17H,7,10,13,16,18H2,1-5H3,(H,37,40).

What are the key properties of 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide has a molecular weight of 1932.48 g/mol, XLogP of 25.25, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]-1H-indole-4-carboxylic acid;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(6-chloro-3-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[6-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is sourced from PubChem (CID 163466638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).