(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C183H205Cl6N27O20 — CID 157161702

About (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 157161702) has the molecular formula C183H205Cl6N27O20 and a molecular weight of 3315.54 g/mol. Its IUPAC name is (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 157161702
• Molecular Formula: C183H205Cl6N27O20
• Molecular Weight: 3315.54 g/mol
• Exact Mass: 3310.40
• IUPAC Name: (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CCN(CC)C[C@@H](O)CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1.CN1CCN(C[C@@H](O)CCOc2ccc([C@H]3c4[nH]c5ccc(Cl)cc5c4CCN3c3ncccn3)cc2)CC1.COCC(=O)NCC(O)CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2ccc(OCCC(O)CN3CCOCC3)cc2)cc1.O[C@@H](CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1)CN1CCCCC1.O[C@@H](CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1)CN1CCOCC1
• InChI: InChI=1S/C33H36ClN3O5.C32H34ClN3O6.C30H35ClN6O2.C30H34ClN5O2.C29H32ClN5O3.C29H34ClN5O2/c1-22-2-7-27(8-3-22)42-33(39)37-14-12-28-29-20-24(34)6-11-30(29)35-31(28)32(37)23-4-9-26(10-5-23)41-17-13-25(38)21-36-15-18-40-19-16-36;1-20-3-8-25(9-4-20)42-32(39)36-15-13-26-27-17-22(33)7-12-28(27)35-30(26)31(36)21-5-10-24(11-6-21)41-16-14-23(37)18-34-29(38)19-40-2;1-35-14-16-36(17-15-35)20-23(38)10-18-39-24-6-3-21(4-7-24)29-28-25(26-19-22(31)5-8-27(26)34-28)9-13-37(29)30-32-11-2-12-33-30;31-22-7-10-27-26(19-22)25-11-17-36(30-32-13-4-14-33-30)29(28(25)34-27)21-5-8-24(9-6-21)38-18-12-23(37)20-35-15-2-1-3-16-35;30-21-4-7-26-25(18-21)24-8-12-35(29-31-10-1-11-32-29)28(27(24)33-26)20-2-5-23(6-3-20)38-15-9-22(36)19-34-13-16-37-17-14-34;1-3-34(4-2)19-22(36)13-17-37-23-9-6-20(7-10-23)28-27-24(25-18-21(30)8-11-26(25)33-27)12-16-35(28)29-31-14-5-15-32-29/h2-11,20,25,32,35,38H,12-19,21H2,1H3;3-12,17,23,31,35,37H,13-16,18-19H2,1-2H3,(H,34,38);2-8,11-12,19,23,29,34,38H,9-10,13-18,20H2,1H3;4-10,13-14,19,23,29,34,37H,1-3,11-12,15-18,20H2;1-7,10-11,18,22,28,33,36H,8-9,12-17,19H2;5-11,14-15,18,22,28,33,36H,3-4,12-13,16-17,19H2,1-2H3/t25?,32-;23?,31-;2*23-,29-;2*22-,28-/m000000/s1
• InChIKey: AMLLXLCXVGQPHW-GAIWHPLBSA-N
• XLogP: 29.89
• TPSA: 522.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 52
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3315.54
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 157161702) is (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CCN(CC)C[C@@H](O)CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1.CN1CCN(C[C@@H](O)CCOc2ccc([C@H]3c4[nH]c5ccc(Cl)cc5c4CCN3c3ncccn3)cc2)CC1.COCC(=O)NCC(O)CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2ccc(OCCC(O)CN3CCOCC3)cc2)cc1.O[C@@H](CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1)CN1CCCCC1.O[C@@H](CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2c2ncccn2)cc1)CN1CCOCC1.

What is the InChIKey of (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is AMLLXLCXVGQPHW-GAIWHPLBSA-N. The full InChI is InChI=1S/C33H36ClN3O5.C32H34ClN3O6.C30H35ClN6O2.C30H34ClN5O2.C29H32ClN5O3.C29H34ClN5O2/c1-22-2-7-27(8-3-22)42-33(39)37-14-12-28-29-20-24(34)6-11-30(29)35-31(28)32(37)23-4-9-26(10-5-23)41-17-13-25(38)21-36-15-18-40-19-16-36;1-20-3-8-25(9-4-20)42-32(39)36-15-13-26-27-17-22(33)7-12-28(27)35-30(26)31(36)21-5-10-24(11-6-21)41-16-14-23(37)18-34-29(38)19-40-2;1-35-14-16-36(17-15-35)20-23(38)10-18-39-24-6-3-21(4-7-24)29-28-25(26-19-22(31)5-8-27(26)34-28)9-13-37(29)30-32-11-2-12-33-30;31-22-7-10-27-26(19-22)25-11-17-36(30-32-13-4-14-33-30)29(28(25)34-27)21-5-8-24(9-6-21)38-18-12-23(37)20-35-15-2-1-3-16-35;30-21-4-7-26-25(18-21)24-8-12-35(29-31-10-1-11-32-29)28(27(24)33-26)20-2-5-23(6-3-20)38-15-9-22(36)19-34-13-16-37-17-14-34;1-3-34(4-2)19-22(36)13-17-37-23-9-6-20(7-10-23)28-27-24(25-18-21(30)8-11-26(25)33-27)12-16-35(28)29-31-14-5-15-32-29/h2-11,20,25,32,35,38H,12-19,21H2,1H3;3-12,17,23,31,35,37H,13-16,18-19H2,1-2H3,(H,34,38);2-8,11-12,19,23,29,34,38H,9-10,13-18,20H2,1H3;4-10,13-14,19,23,29,34,37H,1-3,11-12,15-18,20H2;1-7,10-11,18,22,28,33,36H,8-9,12-17,19H2;5-11,14-15,18,22,28,33,36H,3-4,12-13,16-17,19H2,1-2H3/t25?,32-;23?,31-;2*23-,29-;2*22-,28-/m000000/s1.

What are the key properties of (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 3315.54 g/mol, XLogP of 29.89, 52 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157161702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).