2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C149H175ClF6N24O8 — CID 160772781

About 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 160772781) has the molecular formula C149H175ClF6N24O8 and a molecular weight of 2579.64 g/mol. Its IUPAC name is 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 160772781
• Molecular Formula: C149H175ClF6N24O8
• Molecular Weight: 2579.64 g/mol
• Exact Mass: 2577.36
• IUPAC Name: 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1ncccc1C(F)(F)F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1Cl)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12
• InChI: InChI=1S/C32H39N5O2.C30H34F3N5O2.C30H37N5O2.C29H34ClN5O2.C28H31F3N4/c1-2-3-6-17-36(29-13-7-9-24-10-8-15-34-31(24)29)22-27-32-26(14-16-33-27)25-11-4-5-12-28(25)37(32)23-30(38)35-18-20-39-21-19-35;1-2-3-6-14-36(19-25-24(30(31,32)33)9-7-12-34-25)20-26-29-23(11-13-35-26)22-8-4-5-10-27(22)38(29)21-28(39)37-15-17-40-18-16-37;1-3-4-7-15-33(20-26-23(2)9-8-13-31-26)21-27-30-25(12-14-32-27)24-10-5-6-11-28(24)35(30)22-29(36)34-16-18-37-19-17-34;1-2-3-6-14-33(19-25-24(30)9-7-12-31-25)20-26-29-23(11-13-32-26)22-8-4-5-10-27(22)35(29)21-28(36)34-15-17-37-18-16-34;1-2-3-6-17-34(25-13-7-9-20-10-8-15-33-26(20)25)18-23-27-22(14-16-32-23)21-11-4-5-12-24(21)35(27)19-28(29,30)31/h4-5,8,10-12,14-16,29H,2-3,6-7,9,13,17-23H2,1H3;4-5,7-13H,2-3,6,14-21H2,1H3;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,7-13H,2-3,6,14-21H2,1H3;4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3
• InChIKey: RZNRHSRGDLWKSR-UHFFFAOYSA-N
• XLogP: 28.62
• TPSA: 287.91 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 47
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.64
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 160772781) is 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1ncccc1C(F)(F)F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1Cl)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.

What is the InChIKey of 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is RZNRHSRGDLWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2.C30H34F3N5O2.C30H37N5O2.C29H34ClN5O2.C28H31F3N4/c1-2-3-6-17-36(29-13-7-9-24-10-8-15-34-31(24)29)22-27-32-26(14-16-33-27)25-11-4-5-12-28(25)37(32)23-30(38)35-18-20-39-21-19-35;1-2-3-6-14-36(19-25-24(30(31,32)33)9-7-12-34-25)20-26-29-23(11-13-35-26)22-8-4-5-10-27(22)38(29)21-28(39)37-15-17-40-18-16-37;1-3-4-7-15-33(20-26-23(2)9-8-13-31-26)21-27-30-25(12-14-32-27)24-10-5-6-11-28(24)35(30)22-29(36)34-16-18-37-19-17-34;1-2-3-6-14-33(19-25-24(30)9-7-12-31-25)20-26-29-23(11-13-32-26)22-8-4-5-10-27(22)35(29)21-28(36)34-15-17-37-18-16-34;1-2-3-6-17-34(25-13-7-9-20-10-8-15-33-26(20)25)18-23-27-22(14-16-32-23)21-11-4-5-12-24(21)35(27)19-28(29,30)31/h4-5,8,10-12,14-16,29H,2-3,6-7,9,13,17-23H2,1H3;4-5,7-13H,2-3,6,14-21H2,1H3;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,7-13H,2-3,6,14-21H2,1H3;4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3.

What are the key properties of 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 2579.64 g/mol, XLogP of 28.62, 47 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[(3-chloro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;2-[1-[[(3-methyl-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[pentyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 160772781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).