1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide

C161H184Cl2F6N20O12 — CID 158503320

About 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide

1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide (PubChem CID 158503320) has the molecular formula C161H184Cl2F6N20O12 and a molecular weight of 2776.26 g/mol. Its IUPAC name is 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide
• PubChem CID: 158503320
• Molecular Formula: C161H184Cl2F6N20O12
• Molecular Weight: 2776.26 g/mol
• Exact Mass: 2773.37
• IUPAC Name: 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide
• SMILES: COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN4CCCCC4C3)c12
• InChI: InChI=1S/C36H38ClFN4O3.C33H39FN4O3.C32H35ClF2N4O2.C32H37FN4O2.C28H35FN4O2/c1-44-34-12-5-11-30-31(36(43)39-24-26-7-4-8-27(38)23-26)25-42(35(30)34)16-6-15-40-17-19-41(20-18-40)21-22-45-33-14-13-32(37)28-9-2-3-10-29(28)33;1-40-31-14-6-13-29-30(33(39)35-24-26-9-5-10-27(34)23-26)25-38(32(29)31)17-7-15-36-18-20-37(21-19-36)16-8-22-41-28-11-3-2-4-12-28;1-41-30-12-3-9-25-26(32(40)36-20-23-7-2-8-24(34)19-23)22-39(31(25)30)16-6-14-37-13-5-15-38(18-17-37)21-27-28(33)10-4-11-29(27)35;1-39-30-13-6-12-28-29(32(38)34-23-26-10-5-11-27(33)22-26)24-37(31(28)30)16-7-15-35-18-20-36(21-19-35)17-14-25-8-3-2-4-9-25;1-35-26-11-5-10-24-25(28(34)30-18-21-7-4-8-22(29)17-21)20-33(27(24)26)14-6-12-31-15-16-32-13-3-2-9-23(32)19-31/h2-5,7-14,23,25H,6,15-22,24H2,1H3,(H,39,43);2-6,9-14,23,25H,7-8,15-22,24H2,1H3,(H,35,39);2-4,7-12,19,22H,5-6,13-18,20-21H2,1H3,(H,36,40);2-6,8-13,22,24H,7,14-21,23H2,1H3,(H,34,38);4-5,7-8,10-11,17,20,23H,2-3,6,9,12-16,18-19H2,1H3,(H,30,34)
• InChIKey: HKDZHBBMPAJRCO-UHFFFAOYSA-N
• XLogP: 27.17
• TPSA: 267.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 54
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2776.26
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide?

The IUPAC name of 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide (CID 158503320) is 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide.

What is the SMILES notation for 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide?

The canonical SMILES for 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCCOc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN4CCCCC4C3)c12.

What is the InChIKey of 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide?

The InChIKey is HKDZHBBMPAJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38ClFN4O3.C33H39FN4O3.C32H35ClF2N4O2.C32H37FN4O2.C28H35FN4O2/c1-44-34-12-5-11-30-31(36(43)39-24-26-7-4-8-27(38)23-26)25-42(35(30)34)16-6-15-40-17-19-41(20-18-40)21-22-45-33-14-13-32(37)28-9-2-3-10-29(28)33;1-40-31-14-6-13-29-30(33(39)35-24-26-9-5-10-27(34)23-26)25-38(32(29)31)17-7-15-36-18-20-37(21-19-36)16-8-22-41-28-11-3-2-4-12-28;1-41-30-12-3-9-25-26(32(40)36-20-23-7-2-8-24(34)19-23)22-39(31(25)30)16-6-14-37-13-5-15-38(18-17-37)21-27-28(33)10-4-11-29(27)35;1-39-30-13-6-12-28-29(32(38)34-23-26-10-5-11-27(33)22-26)24-37(31(28)30)16-7-15-35-18-20-36(21-19-35)17-14-25-8-3-2-4-9-25;1-35-26-11-5-10-24-25(28(34)30-18-21-7-4-8-22(29)17-21)20-33(27(24)26)14-6-12-31-15-16-32-13-3-2-9-23(32)19-31/h2-5,7-14,23,25H,6,15-22,24H2,1H3,(H,39,43);2-6,9-14,23,25H,7-8,15-22,24H2,1H3,(H,35,39);2-4,7-12,19,22H,5-6,13-18,20-21H2,1H3,(H,36,40);2-6,8-13,22,24H,7,14-21,23H2,1H3,(H,34,38);4-5,7-8,10-11,17,20,23H,2-3,6,9,12-16,18-19H2,1H3,(H,30,34).

What are the key properties of 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide?

1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 2776.26 g/mol, XLogP of 27.17, 54 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 158503320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).