2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol

C143H171FN22O6 — CID 158371519

About 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol

2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol (PubChem CID 158371519) has the molecular formula C143H171FN22O6 and a molecular weight of 2313.09 g/mol. Its IUPAC name is 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol
• PubChem CID: 158371519
• Molecular Formula: C143H171FN22O6
• Molecular Weight: 2313.09 g/mol
• Exact Mass: 2311.37
• IUPAC Name: 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol
• SMILES: CCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c1Cc1ccccc1-2)C1CCCc2cccnc21.CCCCCN(Cc1ncccc1F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1OC)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.OCCn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)C3CCCc4cccnc43)c21
• InChI: InChI=1S/C31H39N5O.C30H37N5O3.C29H34FN5O2.C27H31N3.C26H30N4/c37-22-21-36-28-12-3-2-11-25(28)26-14-16-32-27(31(26)36)23-35(20-8-19-34-17-4-1-5-18-34)29-13-6-9-24-10-7-15-33-30(24)29;1-3-4-7-15-33(20-25-28(37-2)11-8-13-31-25)21-26-30-24(12-14-32-26)23-9-5-6-10-27(23)35(30)22-29(36)34-16-18-38-19-17-34;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;1-2-3-6-17-30(26-13-7-10-20-11-8-15-29-27(20)26)19-25-24-18-21-9-4-5-12-22(21)23(24)14-16-28-25;1-2-3-6-15-30(25-13-7-9-19-10-8-14-27-26(19)25)18-20-16-22-21-11-4-5-12-23(21)29-24(22)17-28-20/h2-3,7,10-12,14-16,29,37H,1,4-6,8-9,13,17-23H2;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,7-13H,2-3,6,14-21H2,1H3;4-5,8-9,11-12,14-16,26H,2-3,6-7,10,13,17-19H2,1H3;4-5,8,10-12,14,16-17,25,29H,2-3,6-7,9,13,15,18H2,1H3
• InChIKey: GURBUENLFYIFRS-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 267.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.09
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol?

The IUPAC name of 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol (CID 158371519) is 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol.

What is the SMILES notation for 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol?

The canonical SMILES for 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol is CCCCCN(Cc1cc2c(cn1)[nH]c1ccccc12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c1Cc1ccccc1-2)C1CCCc2cccnc21.CCCCCN(Cc1ncccc1F)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.CCCCCN(Cc1ncccc1OC)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.OCCn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)C3CCCc4cccnc43)c21.

What is the InChIKey of 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol?

The InChIKey is GURBUENLFYIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O.C30H37N5O3.C29H34FN5O2.C27H31N3.C26H30N4/c37-22-21-36-28-12-3-2-11-25(28)26-14-16-32-27(31(26)36)23-35(20-8-19-34-17-4-1-5-18-34)29-13-6-9-24-10-7-15-33-30(24)29;1-3-4-7-15-33(20-25-28(37-2)11-8-13-31-25)21-26-30-24(12-14-32-26)23-9-5-6-10-27(23)35(30)22-29(36)34-16-18-38-19-17-34;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;1-2-3-6-17-30(26-13-7-10-20-11-8-15-29-27(20)26)19-25-24-18-21-9-4-5-12-22(21)23(24)14-16-28-25;1-2-3-6-15-30(25-13-7-9-19-10-8-14-27-26(19)25)18-20-16-22-21-11-4-5-12-23(21)29-24(22)17-28-20/h2-3,7,10-12,14-16,29,37H,1,4-6,8-9,13,17-23H2;5-6,8-14H,3-4,7,15-22H2,1-2H3;4-5,7-13H,2-3,6,14-21H2,1H3;4-5,8-9,11-12,14-16,26H,2-3,6-7,10,13,17-19H2,1H3;4-5,8,10-12,14,16-17,25,29H,2-3,6-7,9,13,15,18H2,1H3.

What are the key properties of 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol?

2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol has a molecular weight of 2313.09 g/mol, XLogP of 27.05, 44 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[(3-fluoro-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[(3-methoxy-2-pyridinyl)methyl-pentylamino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone;N-pentyl-N-(9H-pyrido[3,4-b]indol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol is sourced from PubChem (CID 158371519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).