(3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide

C126H149Cl5N30O20 — CID 159860643

About (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide

(3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide (PubChem CID 159860643) has the molecular formula C126H149Cl5N30O20 and a molecular weight of 2581.03 g/mol. Its IUPAC name is (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide
• PubChem CID: 159860643
• Molecular Formula: C126H149Cl5N30O20
• Molecular Weight: 2581.03 g/mol
• Exact Mass: 2577.00
• IUPAC Name: (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)N2CCC[C@@H]2C(=O)O)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCNC(=O)C2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NC2CCC(C(N)=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CN1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1=O.CN1CCN(NC(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1
• InChI: InChI=1S/C27H33ClN6O4.C25H32ClN7O3.C25H29ClN6O4.C25H28ClN5O5.C24H27ClN6O4/c1-27(2)14-34(12-23(35)31-17-5-3-15(4-6-17)25(29)36)22(13-38-27)26(37)33-20-10-16(28)9-19-18-7-8-30-11-21(18)32-24(19)20;1-25(2)15-32(13-22(34)30-33-8-6-31(3)7-9-33)21(14-36-25)24(35)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-23(18)19;1-25(2)14-32(12-22(34)31-7-6-30(3)21(33)11-31)20(13-36-25)24(35)29-18-9-15(26)8-17-16-4-5-27-10-19(16)28-23(17)18;1-25(2)13-30(11-21(32)31-7-3-4-19(31)24(34)35)20(12-36-25)23(33)29-17-9-14(26)8-16-15-5-6-27-10-18(15)28-22(16)17;1-24(2)13-31(11-21(33)30-6-5-27-20(32)10-30)19(12-35-24)23(34)29-17-8-14(25)7-16-15-3-4-26-9-18(15)28-22(16)17/h7-11,15,17,22,32H,3-6,12-14H2,1-2H3,(H2,29,36)(H,31,35)(H,33,37);4-5,10-12,21,28H,6-9,13-15H2,1-3H3,(H,29,35)(H,30,34);4-5,8-10,20,28H,6-7,11-14H2,1-3H3,(H,29,35);5-6,8-10,19-20,28H,3-4,7,11-13H2,1-2H3,(H,29,33)(H,34,35);3-4,7-9,19,28H,5-6,10-13H2,1-2H3,(H,27,32)(H,29,34)/t15?,17?,22-;21-;20-;19-,20+;19-/m00010/s1
• InChIKey: NRCCXQBIQRALML-MJZDDEHMSA-N
• XLogP: 11.71
• TPSA: 606.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.03
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide?

The IUPAC name of (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide (CID 159860643) is (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide.

What is the SMILES notation for (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide?

The canonical SMILES for (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC[C@@H]2C(=O)O)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCNC(=O)C2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NC2CCC(C(N)=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CN1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1=O.CN1CCN(NC(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.

What is the InChIKey of (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide?

The InChIKey is NRCCXQBIQRALML-MJZDDEHMSA-N. The full InChI is InChI=1S/C27H33ClN6O4.C25H32ClN7O3.C25H29ClN6O4.C25H28ClN5O5.C24H27ClN6O4/c1-27(2)14-34(12-23(35)31-17-5-3-15(4-6-17)25(29)36)22(13-38-27)26(37)33-20-10-16(28)9-19-18-7-8-30-11-21(18)32-24(19)20;1-25(2)15-32(13-22(34)30-33-8-6-31(3)7-9-33)21(14-36-25)24(35)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-23(18)19;1-25(2)14-32(12-22(34)31-7-6-30(3)21(33)11-31)20(13-36-25)24(35)29-18-9-15(26)8-17-16-4-5-27-10-19(16)28-23(17)18;1-25(2)13-30(11-21(32)31-7-3-4-19(31)24(34)35)20(12-36-25)23(33)29-17-9-14(26)8-16-15-5-6-27-10-18(15)28-22(16)17;1-24(2)13-31(11-21(33)30-6-5-27-20(32)10-30)19(12-35-24)23(34)29-17-8-14(25)7-16-15-3-4-26-9-18(15)28-22(16)17/h7-11,15,17,22,32H,3-6,12-14H2,1-2H3,(H2,29,36)(H,31,35)(H,33,37);4-5,10-12,21,28H,6-9,13-15H2,1-3H3,(H,29,35)(H,30,34);4-5,8-10,20,28H,6-7,11-14H2,1-3H3,(H,29,35);5-6,8-10,19-20,28H,3-4,7,11-13H2,1-2H3,(H,29,33)(H,34,35);3-4,7-9,19,28H,5-6,10-13H2,1-2H3,(H,27,32)(H,29,34)/t15?,17?,22-;21-;20-;19-,20+;19-/m00010/s1.

What are the key properties of (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide?

(3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 2581.03 g/mol, XLogP of 11.71, 24 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[2-[(4-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(2R)-1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]pyrrolidine-2-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 159860643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).