3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

C111H117Cl4N11O6 — CID 163500191

About 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide

3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (PubChem CID 163500191) has the molecular formula C111H117Cl4N11O6 and a molecular weight of 1843.04 g/mol. Its IUPAC name is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• PubChem CID: 163500191
• Molecular Formula: C111H117Cl4N11O6
• Molecular Weight: 1843.04 g/mol
• Exact Mass: 1839.79
• IUPAC Name: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
• SMILES: Cc1cc(OCCCC2=C(C(=O)NCc3ccnc(C4CCc5ccccc5C4)c3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccnc(Cl)c3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cccc(CNC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3cccc(-c4c(C)nn(C)c4C)c3C2)c1
• InChI: InChI=1S/C43H45ClN4O2.C35H38ClN3O2.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)24-39(36)43(49)46-25-30-17-18-45-40(22-30)33-16-15-31-10-6-7-11-32(31)23-33;1-21-10-7-11-26(16-21)20-37-35(40)32-19-31-28(12-8-13-30(31)33-24(4)38-39(6)25(33)5)29(32)14-9-15-41-27-17-22(2)34(36)23(3)18-27;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)17-29(26)33(40)37-18-23-11-12-36-30(34)16-23/h6-8,10-13,17-18,20-22,33H,9,14-16,19,23-25H2,1-5H3,(H,46,49);7-8,10-13,16-18H,9,14-15,19-20H2,1-6H3,(H,37,40);6,8-9,11-12,14-16H,7,10,13,17-18H2,1-5H3,(H,37,40)
• InChIKey: CUBRDOLFKFUAFN-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 194.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.04
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide?

The IUPAC name of 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide (CID 163500191) is 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide.

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

The canonical SMILES for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is Cc1cc(OCCCC2=C(C(=O)NCc3ccnc(C4CCc5ccccc5C4)c3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccnc(Cl)c3)Cc3c2cccc3-c2c(C)nn(C)c2C)cc(C)c1Cl.Cc1cccc(CNC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3cccc(-c4c(C)nn(C)c4C)c3C2)c1.

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

The InChIKey is CUBRDOLFKFUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45ClN4O2.C35H38ClN3O2.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)24-39(36)43(49)46-25-30-17-18-45-40(22-30)33-16-15-31-10-6-7-11-32(31)23-33;1-21-10-7-11-26(16-21)20-37-35(40)32-19-31-28(12-8-13-30(31)33-24(4)38-39(6)25(33)5)29(32)14-9-15-41-27-17-22(2)34(36)23(3)18-27;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)17-29(26)33(40)37-18-23-11-12-36-30(34)16-23/h6-8,10-13,17-18,20-22,33H,9,14-16,19,23-25H2,1-5H3,(H,46,49);7-8,10-13,16-18H,9,14-15,19-20H2,1-6H3,(H,37,40);6,8-9,11-12,14-16H,7,10,13,17-18H2,1-5H3,(H,37,40).

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

3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide has a molecular weight of 1843.04 g/mol, XLogP of 24.40, 28 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(3-methylphenyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-pyridinyl]methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide is sourced from PubChem (CID 163500191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).