[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C65H60Cl3F2N7O6 — CID 159055550

About [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 159055550) has the molecular formula C65H60Cl3F2N7O6 and a molecular weight of 1179.59 g/mol. Its IUPAC name is [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
• PubChem CID: 159055550
• Molecular Formula: C65H60Cl3F2N7O6
• Molecular Weight: 1179.59 g/mol
• Exact Mass: 1177.36
• IUPAC Name: [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
• SMILES: C#Cc1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.CC(F)(F)c1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1
• InChI: InChI=1S/C22H21ClF2N2O2.C22H18ClN3O2.C21H21ClN2O2/c1-22(24,25)15-2-5-17(6-3-15)29-18-8-10-27(11-9-18)21(28)20-13-14-12-16(23)4-7-19(14)26-20;1-2-15-4-3-5-16(12-15)21(27)25-8-10-26(11-9-25)22(28)20-14-17-13-18(23)6-7-19(17)24-20;1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20/h2-7,12-13,18,26H,8-11H2,1H3;1,3-7,12-14,24H,8-11H2;2-7,12-13,18,23H,8-11H2,1H3
• InChIKey: JXUSCXGZBYPDDJ-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 147.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1179.59
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?

The IUPAC name of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 159055550) is [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

What is the SMILES notation for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?

The canonical SMILES for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is C#Cc1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.CC(F)(F)c1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.

What is the InChIKey of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?

The InChIKey is JXUSCXGZBYPDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N2O2.C22H18ClN3O2.C21H21ClN2O2/c1-22(24,25)15-2-5-17(6-3-15)29-18-8-10-27(11-9-18)21(28)20-13-14-12-16(23)4-7-19(14)26-20;1-2-15-4-3-5-16(12-15)21(27)25-8-10-26(11-9-25)22(28)20-14-17-13-18(23)6-7-19(17)24-20;1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20/h2-7,12-13,18,26H,8-11H2,1H3;1,3-7,12-14,24H,8-11H2;2-7,12-13,18,23H,8-11H2,1H3.

What are the key properties of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 1179.59 g/mol, XLogP of 13.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 159055550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).