1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C136H157Cl5N26O19 — CID 158946347

About 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 158946347) has the molecular formula C136H157Cl5N26O19 and a molecular weight of 2637.18 g/mol. Its IUPAC name is 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• PubChem CID: 158946347
• Molecular Formula: C136H157Cl5N26O19
• Molecular Weight: 2637.18 g/mol
• Exact Mass: 2633.06
• IUPAC Name: 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)N2CCC(C(=O)O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCc3ccccc3C2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCNC(=O)C1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.CN(Cc1ccco1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
• InChI: InChI=1S/C29H30ClN5O3.C28H35ClN6O4.C27H34ClN5O3.C26H30ClN5O5.C26H28ClN5O4/c1-29(2)17-35(15-26(36)34-10-8-18-5-3-4-6-19(18)14-34)25(16-38-29)28(37)33-23-12-20(30)11-22-21-7-9-31-13-24(21)32-27(22)23;1-4-31-26(37)17-6-9-34(10-7-17)24(36)14-35-16-28(2,3)39-15-23(35)27(38)33-21-12-18(29)11-20-19-5-8-30-13-22(19)32-25(20)21;1-16-6-5-7-17(2)33(16)24(34)13-32-15-27(3,4)36-14-23(32)26(35)31-21-11-18(28)10-20-19-8-9-29-12-22(19)30-25(20)21;1-26(2)14-32(12-22(33)31-7-4-15(5-8-31)25(35)36)21(13-37-26)24(34)30-19-10-16(27)9-18-17-3-6-28-11-20(17)29-23(18)19;1-26(2)15-32(13-23(33)31(3)12-17-5-4-8-35-17)22(14-36-26)25(34)30-20-10-16(27)9-19-18-6-7-28-11-21(18)29-24(19)20/h3-7,9,11-13,25,32H,8,10,14-17H2,1-2H3,(H,33,37);5,8,11-13,17,23,32H,4,6-7,9-10,14-16H2,1-3H3,(H,31,37)(H,33,38);8-12,16-17,23,30H,5-7,13-15H2,1-4H3,(H,31,35);3,6,9-11,15,21,29H,4-5,7-8,12-14H2,1-2H3,(H,30,34)(H,35,36);4-11,22,29H,12-15H2,1-3H3,(H,30,34)/t25-;23-;16-,17+,23-;21-;22-/m00000/s1
• InChIKey: JKWIXTGWYOSSGM-RAZATTNNSA-N
• XLogP: 19.26
• TPSA: 532.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.18
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The IUPAC name of 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 158946347) is 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

What is the SMILES notation for 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The canonical SMILES for 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC(C(=O)O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCc3ccccc3C2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCNC(=O)C1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.CN(Cc1ccco1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.

What is the InChIKey of 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The InChIKey is JKWIXTGWYOSSGM-RAZATTNNSA-N. The full InChI is InChI=1S/C29H30ClN5O3.C28H35ClN6O4.C27H34ClN5O3.C26H30ClN5O5.C26H28ClN5O4/c1-29(2)17-35(15-26(36)34-10-8-18-5-3-4-6-19(18)14-34)25(16-38-29)28(37)33-23-12-20(30)11-22-21-7-9-31-13-24(21)32-27(22)23;1-4-31-26(37)17-6-9-34(10-7-17)24(36)14-35-16-28(2,3)39-15-23(35)27(38)33-21-12-18(29)11-20-19-5-8-30-13-22(19)32-25(20)21;1-16-6-5-7-17(2)33(16)24(34)13-32-15-27(3,4)36-14-23(32)26(35)31-21-11-18(28)10-20-19-8-9-29-12-22(19)30-25(20)21;1-26(2)14-32(12-22(33)31-7-4-15(5-8-31)25(35)36)21(13-37-26)24(34)30-19-10-16(27)9-18-17-3-6-28-11-20(17)29-23(18)19;1-26(2)15-32(13-23(33)31(3)12-17-5-4-8-35-17)22(14-36-26)25(34)30-20-10-16(27)9-19-18-6-7-28-11-21(18)29-24(19)20/h3-7,9,11-13,25,32H,8,10,14-17H2,1-2H3,(H,33,37);5,8,11-13,17,23,32H,4,6-7,9-10,14-16H2,1-3H3,(H,31,37)(H,33,38);8-12,16-17,23,30H,5-7,13-15H2,1-4H3,(H,31,35);3,6,9-11,15,21,29H,4-5,7-8,12-14H2,1-2H3,(H,30,34)(H,35,36);4-11,22,29H,12-15H2,1-3H3,(H,30,34)/t25-;23-;16-,17+,23-;21-;22-/m00000/s1.

What are the key properties of 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 2637.18 g/mol, XLogP of 19.26, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]piperidine-4-carboxylic acid;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 158946347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).