4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide

C₃₅H₃₂Cl₂N₄O — CID 126617071

About 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide

4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide (PubChem CID 126617071) has the molecular formula C₃₅H₃₂Cl₂N₄O and a molecular weight of 595.57 g/mol. Its IUPAC name is 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide
• PubChem CID: 126617071
• Molecular Formula: C₃₅H₃₂Cl₂N₄O
• Molecular Weight: 595.57 g/mol
• Exact Mass: 594.20
• IUPAC Name: 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide
• SMILES: NC(=O)c1ccc(N2CCC(c3nn(C4CC4)c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1
• InChI: InChI=1S/C35H32Cl2N4O/c36-27-8-1-22(2-9-27)33(23-3-10-28(37)11-4-23)26-7-16-32-31(21-26)34(39-41(32)30-14-15-30)24-17-19-40(20-18-24)29-12-5-25(6-13-29)35(38)42/h1-13,16,21,24,30,33H,14-15,17-20H2,(H2,38,42)
• InChIKey: DIQUEKCLWZJPPM-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 64.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.57
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide?

The IUPAC name of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide (CID 126617071) is 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide.

What is the SMILES notation for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide?

The canonical SMILES for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide is NC(=O)c1ccc(N2CCC(c3nn(C4CC4)c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1.

What is the InChIKey of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide?

The InChIKey is DIQUEKCLWZJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32Cl2N4O/c36-27-8-1-22(2-9-27)33(23-3-10-28(37)11-4-23)26-7-16-32-31(21-26)34(39-41(32)30-14-15-30)24-17-19-40(20-18-24)29-12-5-25(6-13-29)35(38)42/h1-13,16,21,24,30,33H,14-15,17-20H2,(H2,38,42).

What are the key properties of 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide?

4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide has a molecular weight of 595.57 g/mol, XLogP of 8.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]benzamide is sourced from PubChem (CID 126617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126617071 — identifiers, structure, computed properties (public domain)

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