(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C110H135Cl4N23O16S2 — CID 159691132

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 159691132) has the molecular formula C110H135Cl4N23O16S2 and a molecular weight of 2241.38 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• PubChem CID: 159691132
• Molecular Formula: C110H135Cl4N23O16S2
• Molecular Weight: 2241.38 g/mol
• Exact Mass: 2237.87
• IUPAC Name: (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• SMILES: CC1(C)CC(CC(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC(C)(C)N1.CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCS(=O)(=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCN(Cc1ccncc1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
• InChI: InChI=1S/C30H40ClN5O3.C28H36ClN7O5S.C28H31ClN6O3.C24H28ClN5O5S/c1-28(2)12-18(13-29(3,4)35-28)9-20(37)15-36-17-30(5,6)39-16-25(36)27(38)34-23-11-19(31)10-22-21-7-8-32-14-24(21)33-26(22)23;1-28(2)18-34(16-25(37)33-9-11-36(12-10-33)42(39,40)35-7-3-4-8-35)24(17-41-28)27(38)32-22-14-19(29)13-21-20-5-6-30-15-23(20)31-26(21)22;1-4-34(14-18-5-8-30-9-6-18)25(36)15-35-17-28(2,3)38-16-24(35)27(37)33-22-12-19(29)11-21-20-7-10-31-13-23(20)32-26(21)22;1-24(2)14-30(12-21(31)29-5-7-36(33,34)8-6-29)20(13-35-24)23(32)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h7-8,10-11,14,18,25,33,35H,9,12-13,15-17H2,1-6H3,(H,34,38);5-6,13-15,24,31H,3-4,7-12,16-18H2,1-2H3,(H,32,38);5-13,24,32H,4,14-17H2,1-3H3,(H,33,37);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,32)/t25-;2*24-;20-/m0000/s1
• InChIKey: MWKTXNWFNDSEKM-QCMVRZDNSA-N
• XLogP: 13.85
• TPSA: 458.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.38
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 159691132) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-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)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CC(CC(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC(C)(C)N1.CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCS(=O)(=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CCN(Cc1ccncc1)C(=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)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The InChIKey is MWKTXNWFNDSEKM-QCMVRZDNSA-N. The full InChI is InChI=1S/C30H40ClN5O3.C28H36ClN7O5S.C28H31ClN6O3.C24H28ClN5O5S/c1-28(2)12-18(13-29(3,4)35-28)9-20(37)15-36-17-30(5,6)39-16-25(36)27(38)34-23-11-19(31)10-22-21-7-8-32-14-24(21)33-26(22)23;1-28(2)18-34(16-25(37)33-9-11-36(12-10-33)42(39,40)35-7-3-4-8-35)24(17-41-28)27(38)32-22-14-19(29)13-21-20-5-6-30-15-23(20)31-26(21)22;1-4-34(14-18-5-8-30-9-6-18)25(36)15-35-17-28(2,3)38-16-24(35)27(37)33-22-12-19(29)11-21-20-7-10-31-13-23(20)32-26(21)22;1-24(2)14-30(12-21(31)29-5-7-36(33,34)8-6-29)20(13-35-24)23(32)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h7-8,10-11,14,18,25,33,35H,9,12-13,15-17H2,1-6H3,(H,34,38);5-6,13-15,24,31H,3-4,7-12,16-18H2,1-2H3,(H,32,38);5-13,24,32H,4,14-17H2,1-3H3,(H,33,37);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,32)/t25-;2*24-;20-/m0000/s1.

What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 2241.38 g/mol, XLogP of 13.85, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 159691132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).