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

C150H179F6N23O7 — CID 162203608

About 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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 162203608) has the molecular formula C150H179F6N23O7 and a molecular weight of 2530.22 g/mol. Its IUPAC name is 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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: 162203608
• Molecular Formula: C150H179F6N23O7
• Molecular Weight: 2530.22 g/mol
• Exact Mass: 2528.43
• IUPAC Name: 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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)[C@H]1CCOc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1ncccc1C(F)(F)F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12
• InChI: InChI=1S/C31H37N5O3.C31H40N4.C30H34F3N5O2.C30H37N5O2.C28H31F3N4/c1-2-3-6-15-35(27-12-18-39-28-10-7-13-33-30(27)28)21-25-31-24(11-14-32-25)23-8-4-5-9-26(23)36(31)22-29(37)34-16-19-38-20-17-34;1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;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;1-2-3-6-17-34(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/h4-5,7-11,13-14,27H,2-3,6,12,15-22H2,1H3;7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;4-5,7-13H,2-3,6,14-21H2,1H3;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3/t27-;28-;;;25-/m00..0/s1
• InChIKey: ZRXCGCMPEBGNEM-GQMVBMOQSA-N
• XLogP: 30.47
• TPSA: 267.60 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2530.22
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	0
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 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 162203608) is 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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)[C@H]1CCOc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1ncccc1C(F)(F)F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.

What is the InChIKey of 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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 ZRXCGCMPEBGNEM-GQMVBMOQSA-N. The full InChI is InChI=1S/C31H37N5O3.C31H40N4.C30H34F3N5O2.C30H37N5O2.C28H31F3N4/c1-2-3-6-15-35(27-12-18-39-28-10-7-13-33-30(27)28)21-25-31-24(11-14-32-25)23-8-4-5-9-26(23)36(31)22-29(37)34-16-19-38-20-17-34;1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;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;1-2-3-6-17-34(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/h4-5,7-11,13-14,27H,2-3,6,12,15-22H2,1H3;7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;4-5,7-13H,2-3,6,14-21H2,1H3;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3/t27-;28-;;;25-/m00..0/s1.

What are the key properties of 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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 2530.22 g/mol, XLogP of 30.47, 45 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;(8S)-N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-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 162203608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).