(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate

C139H160Cl5FN26O21 — CID 159919873

IUPAC(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate
SMILESCC1(C)CN(CC(=O)N2CCC(O)(c3ccccc3)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2ccncc2F)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCC1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.COC(=O)C1CN1C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C31H40ClN5O6.C31H34ClN5O4.C27H34ClN5O3.C26H26ClFN6O3.C24H26ClN5O5/c1-6-42-28(40)30(4,5)31(41)8-11-36(12-9-31)25(38)16-37-18-29(2,3)43-17-24(37)27(39)35-22-14-19(32)13-21-20-7-10-33-15-23(20)34-26(21)22;1-30(2)19-37(17-27(38)36-12-9-31(40,10-13-36)20-6-4-3-5-7-20)26(18-41-30)29(39)35-24-15-21(32)14-23-22-8-11-33-16-25(22)34-28(23)24;1-4-17-6-9-32(10-7-17)24(34)14-33-16-27(2,3)36-15-23(33)26(35)31-21-12-18(28)11-20-19-5-8-29-13-22(19)30-25(20)21;1-26(2)14-34(12-23(35)31-9-15-3-5-29-10-19(15)28)22(13-37-26)25(36)33-20-8-16(27)7-18-17-4-6-30-11-21(17)32-24(18)20;1-24(2)12-29(10-20(31)30-9-18(30)23(33)34-3)19(11-35-24)22(32)28-16-7-13(25)6-15-14-4-5-26-8-17(14)27-21(15)16/h7,10,13-15,24,34,41H,6,8-9,11-12,16-18H2,1-5H3,(H,35,39);3-8,11,14-16,26,34,40H,9-10,12-13,17-19H2,1-2H3,(H,35,39);5,8,11-13,17,23,30H,4,6-7,9-10,14-16H2,1-3H3,(H,31,35);3-8,10-11,22,32H,9,12-14H2,1-2H3,(H,31,35)(H,33,36);4-8,18-19,27H,9-12H2,1-3H3,(H,28,32)/t24-;26-;23-;22-;18?,19-,30?/m00000/s1
InChIKeyNYGLCSUEOUGWJF-IZIOWEEGSA-N
MW2727.23 g/mol
LogP18.27
Rot. Bonds28

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate (PubChem CID 159919873) has the molecular formula C139H160Cl5FN26O21 and a molecular weight of 2727.23 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate.

Molecular Properties

Compound Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate
PubChem CID159919873
Molecular FormulaC139H160Cl5FN26O21
Molecular Weight2727.23 g/mol
Exact Mass2723.07
IUPAC Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate
SMILESCC1(C)CN(CC(=O)N2CCC(O)(c3ccccc3)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2ccncc2F)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCC1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.COC(=O)C1CN1C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C31H40ClN5O6.C31H34ClN5O4.C27H34ClN5O3.C26H26ClFN6O3.C24H26ClN5O5/c1-6-42-28(40)30(4,5)31(41)8-11-36(12-9-31)25(38)16-37-18-29(2,3)43-17-24(37)27(39)35-22-14-19(32)13-21-20-7-10-33-15-23(20)34-26(21)22;1-30(2)19-37(17-27(38)36-12-9-31(40,10-13-36)20-6-4-3-5-7-20)26(18-41-30)29(39)35-24-15-21(32)14-23-22-8-11-33-16-25(22)34-28(23)24;1-4-17-6-9-32(10-7-17)24(34)14-33-16-27(2,3)36-15-23(33)26(35)31-21-12-18(28)11-20-19-5-8-29-13-22(19)30-25(20)21;1-26(2)14-34(12-23(35)31-9-15-3-5-29-10-19(15)28)22(13-37-26)25(36)33-20-8-16(27)7-18-17-4-6-30-11-21(17)32-24(18)20;1-24(2)12-29(10-20(31)30-9-18(30)23(33)34-3)19(11-35-24)22(32)28-16-7-13(25)6-15-14-4-5-26-8-17(14)27-21(15)16/h7,10,13-15,24,34,41H,6,8-9,11-12,16-18H2,1-5H3,(H,35,39);3-8,11,14-16,26,34,40H,9-10,12-13,17-19H2,1-2H3,(H,35,39);5,8,11-13,17,23,30H,4,6-7,9-10,14-16H2,1-3H3,(H,31,35);3-8,10-11,22,32H,9,12-14H2,1-2H3,(H,31,35)(H,33,36);4-8,18-19,27H,9-12H2,1-3H3,(H,28,32)/t24-;26-;23-;22-;18?,19-,30?/m00000/s1
InChIKeyNYGLCSUEOUGWJF-IZIOWEEGSA-N
XLogP18.27
TPSA567.31 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002727.23
LogP ≤ 518.27
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate?
The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate (CID 159919873) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate.
What is the SMILES notation for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate?
The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate is CC1(C)CN(CC(=O)N2CCC(O)(c3ccccc3)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2ccncc2F)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCC1CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1.COC(=O)C1CN1C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate?
The InChIKey is NYGLCSUEOUGWJF-IZIOWEEGSA-N. The full InChI is InChI=1S/C31H40ClN5O6.C31H34ClN5O4.C27H34ClN5O3.C26H26ClFN6O3.C24H26ClN5O5/c1-6-42-28(40)30(4,5)31(41)8-11-36(12-9-31)25(38)16-37-18-29(2,3)43-17-24(37)27(39)35-22-14-19(32)13-21-20-7-10-33-15-23(20)34-26(21)22;1-30(2)19-37(17-27(38)36-12-9-31(40,10-13-36)20-6-4-3-5-7-20)26(18-41-30)29(39)35-24-15-21(32)14-23-22-8-11-33-16-25(22)34-28(23)24;1-4-17-6-9-32(10-7-17)24(34)14-33-16-27(2,3)36-15-23(33)26(35)31-21-12-18(28)11-20-19-5-8-29-13-22(19)30-25(20)21;1-26(2)14-34(12-23(35)31-9-15-3-5-29-10-19(15)28)22(13-37-26)25(36)33-20-8-16(27)7-18-17-4-6-30-11-21(17)32-24(18)20;1-24(2)12-29(10-20(31)30-9-18(30)23(33)34-3)19(11-35-24)22(32)28-16-7-13(25)6-15-14-4-5-26-8-17(14)27-21(15)16/h7,10,13-15,24,34,41H,6,8-9,11-12,16-18H2,1-5H3,(H,35,39);3-8,11,14-16,26,34,40H,9-10,12-13,17-19H2,1-2H3,(H,35,39);5,8,11-13,17,23,30H,4,6-7,9-10,14-16H2,1-3H3,(H,31,35);3-8,10-11,22,32H,9,12-14H2,1-2H3,(H,31,35)(H,33,36);4-8,18-19,27H,9-12H2,1-3H3,(H,28,32)/t24-;26-;23-;22-;18?,19-,30?/m00000/s1.
What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate?
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate has a molecular weight of 2727.23 g/mol, XLogP of 18.27, 28 rotatable bonds, 13 hydrogen bond donors, and 32 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-(4-ethylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(3-fluoro-4-pyridinyl)methylamino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;ethyl 2-[1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]-4-hydroxypiperidin-4-yl]-2-methylpropanoate;methyl 1-[2-[(5S)-5-[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)carbamoyl]-2,2-dimethylmorpholin-4-yl]acetyl]aziridine-2-carboxylate is sourced from PubChem (CID 159919873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).