(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C126H150Cl5N27O17 — CID 158700936

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 158700936) has the molecular formula C126H150Cl5N27O17 and a molecular weight of 2492.02 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• PubChem CID: 158700936
• Molecular Formula: C126H150Cl5N27O17
• Molecular Weight: 2492.02 g/mol
• Exact Mass: 2488.01
• IUPAC Name: (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)N2CCC(CO)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC(O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2ccncc2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCN(CC)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.CN1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1
• InChI: InChI=1S/C26H27ClN6O3.C26H32ClN5O4.C25H31ClN6O3.C25H30ClN5O4.C24H30ClN5O3/c1-26(2)15-33(13-23(34)30-11-16-3-6-28-7-4-16)22(14-36-26)25(35)32-20-10-17(27)9-19-18-5-8-29-12-21(18)31-24(19)20;1-26(2)15-32(12-23(34)31-7-4-16(13-33)5-8-31)22(14-36-26)25(35)30-20-10-17(27)9-19-18-3-6-28-11-21(18)29-24(19)20;1-25(2)15-32(13-22(33)31-8-6-30(3)7-9-31)21(14-35-25)24(34)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-23(18)19;1-25(2)14-31(12-22(33)30-7-4-16(32)5-8-30)21(13-35-25)24(34)29-19-10-15(26)9-18-17-3-6-27-11-20(17)28-23(18)19;1-5-29(6-2)21(31)12-30-14-24(3,4)33-13-20(30)23(32)28-18-10-15(25)9-17-16-7-8-26-11-19(16)27-22(17)18/h3-10,12,22,31H,11,13-15H2,1-2H3,(H,30,34)(H,32,35);3,6,9-11,16,22,29,33H,4-5,7-8,12-15H2,1-2H3,(H,30,35);4-5,10-12,21,28H,6-9,13-15H2,1-3H3,(H,29,34);3,6,9-11,16,21,28,32H,4-5,7-8,12-14H2,1-2H3,(H,29,34);7-11,20,27H,5-6,12-14H2,1-4H3,(H,28,32)/t2*22-;2*21-;20-/m00000/s1
• InChIKey: IHNOXZOUMFZCBH-XXPRDOLUSA-N
• XLogP: 15.51
• TPSA: 518.18 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2492.02
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 158700936) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

What is the SMILES notation for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC(CO)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC(O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2ccncc2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCN(CC)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.CN1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.

What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The InChIKey is IHNOXZOUMFZCBH-XXPRDOLUSA-N. The full InChI is InChI=1S/C26H27ClN6O3.C26H32ClN5O4.C25H31ClN6O3.C25H30ClN5O4.C24H30ClN5O3/c1-26(2)15-33(13-23(34)30-11-16-3-6-28-7-4-16)22(14-36-26)25(35)32-20-10-17(27)9-19-18-5-8-29-12-21(18)31-24(19)20;1-26(2)15-32(12-23(34)31-7-4-16(13-33)5-8-31)22(14-36-26)25(35)30-20-10-17(27)9-19-18-3-6-28-11-21(18)29-24(19)20;1-25(2)15-32(13-22(33)31-8-6-30(3)7-9-31)21(14-35-25)24(34)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-23(18)19;1-25(2)14-31(12-22(33)30-7-4-16(32)5-8-30)21(13-35-25)24(34)29-19-10-15(26)9-18-17-3-6-27-11-20(17)28-23(18)19;1-5-29(6-2)21(31)12-30-14-24(3,4)33-13-20(30)23(32)28-18-10-15(25)9-17-16-7-8-26-11-19(16)27-22(17)18/h3-10,12,22,31H,11,13-15H2,1-2H3,(H,30,34)(H,32,35);3,6,9-11,16,22,29,33H,4-5,7-8,12-15H2,1-2H3,(H,30,35);4-5,10-12,21,28H,6-9,13-15H2,1-3H3,(H,29,34);3,6,9-11,16,21,28,32H,4-5,7-8,12-14H2,1-2H3,(H,29,34);7-11,20,27H,5-6,12-14H2,1-4H3,(H,28,32)/t2*22-;2*21-;20-/m00000/s1.

What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 2492.02 g/mol, XLogP of 15.51, 25 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(diethylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 158700936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).