2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide

C148H179Cl2F4N25O10 — CID 157173542

About 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide

2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide (PubChem CID 157173542) has the molecular formula C148H179Cl2F4N25O10 and a molecular weight of 2615.12 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
• PubChem CID: 157173542
• Molecular Formula: C148H179Cl2F4N25O10
• Molecular Weight: 2615.12 g/mol
• Exact Mass: 2612.36
• IUPAC Name: 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
• SMILES: Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc1Cl
• InChI: InChI=1S/C30H35F2N5O2.2C30H36FN5O2.2C29H36ClN5O2/c1-18-14-19(15-25(31)28(18)32)2-7-27(38)37-12-9-21(10-13-37)29(30(33)39)36-22-5-3-20(4-6-22)23-17-35-26-8-11-34-16-24(23)26;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(30(32)38)35-24-7-5-21(6-8-24)25-18-34-26-3-2-12-33-29(25)26;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(29(32)38)35-24-7-5-21(6-8-24)26-18-34-30-25(26)3-2-12-33-30;1-18-2-3-19(14-25(18)30)15-27(36)35-12-9-21(10-13-35)28(29(31)37)34-22-6-4-20(5-7-22)23-17-33-26-8-11-32-16-24(23)26;1-18-4-5-19(15-24(18)30)16-26(36)35-13-10-21(11-14-35)27(29(31)37)34-22-8-6-20(7-9-22)23-17-33-25-3-2-12-32-28(23)25/h2,7-8,11,14-17,20-22,29,35-36H,3-6,9-10,12-13H2,1H3,(H2,33,39);2-4,9,12,15-18,21-22,24,28,34-35H,5-8,10-11,13-14H2,1H3,(H2,32,38);2-4,9,12,15-18,21-22,24,28,35H,5-8,10-11,13-14H2,1H3,(H2,32,38)(H,33,34);2-3,8,11,14,16-17,20-22,28,33-34H,4-7,9-10,12-13,15H2,1H3,(H2,31,37);2-5,12,15,17,20-22,27,33-34H,6-11,13-14,16H2,1H3,(H2,31,37)/b7-2+;2*9-4+
• InChIKey: ANTCSAUWNUSXDQ-FFMRNCQYSA-N
• XLogP: 22.39
• TPSA: 520.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.12
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The IUPAC name of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide (CID 157173542) is 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide.

What is the SMILES notation for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The canonical SMILES for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide is Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1.Cc1cc(F)cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ncccc45)CC3)C(N)=O)CC2)c1.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)cc1Cl.Cc1ccc(CC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccncc45)CC3)C(N)=O)CC2)cc1Cl.

What is the InChIKey of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

The InChIKey is ANTCSAUWNUSXDQ-FFMRNCQYSA-N. The full InChI is InChI=1S/C30H35F2N5O2.2C30H36FN5O2.2C29H36ClN5O2/c1-18-14-19(15-25(31)28(18)32)2-7-27(38)37-12-9-21(10-13-37)29(30(33)39)36-22-5-3-20(4-6-22)23-17-35-26-8-11-34-16-24(23)26;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(30(32)38)35-24-7-5-21(6-8-24)25-18-34-26-3-2-12-33-29(25)26;1-19-15-20(17-23(31)16-19)4-9-27(37)36-13-10-22(11-14-36)28(29(32)38)35-24-7-5-21(6-8-24)26-18-34-30-25(26)3-2-12-33-30;1-18-2-3-19(14-25(18)30)15-27(36)35-12-9-21(10-13-35)28(29(31)37)34-22-6-4-20(5-7-22)23-17-33-26-8-11-32-16-24(23)26;1-18-4-5-19(15-24(18)30)16-26(36)35-13-10-21(11-14-35)27(29(31)37)34-22-8-6-20(7-9-22)23-17-33-25-3-2-12-32-28(23)25/h2,7-8,11,14-17,20-22,29,35-36H,3-6,9-10,12-13H2,1H3,(H2,33,39);2-4,9,12,15-18,21-22,24,28,34-35H,5-8,10-11,13-14H2,1H3,(H2,32,38);2-4,9,12,15-18,21-22,24,28,35H,5-8,10-11,13-14H2,1H3,(H2,32,38)(H,33,34);2-3,8,11,14,16-17,20-22,28,33-34H,4-7,9-10,12-13,15H2,1H3,(H2,31,37);2-5,12,15,17,20-22,27,33-34H,6-11,13-14,16H2,1H3,(H2,31,37)/b7-2+;2*9-4+;;.

What are the key properties of 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide?

2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide has a molecular weight of 2615.12 g/mol, XLogP of 22.39, 35 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 157173542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).