(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C124H148Cl5N25O16 — CID 157128012

About (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 157128012) has the molecular formula C124H148Cl5N25O16 and a molecular weight of 2421.97 g/mol. Its IUPAC name is (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• PubChem CID: 157128012
• Molecular Formula: C124H148Cl5N25O16
• Molecular Weight: 2421.97 g/mol
• Exact Mass: 2418.00
• IUPAC Name: (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)NC2CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCCCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCOCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COCCN4CC(=O)N4CCCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COCCN4CC(=O)N4CCCCC4)cc(Cl)cc3c12
• InChI: InChI=1S/2C26H32ClN5O3.C25H30ClN5O4.C24H28ClN5O3.C23H26ClN5O3/c1-16-11-28-12-20-23(16)18-9-17(27)10-19(24(18)29-20)30-25(34)21-14-35-26(2,3)15-32(21)13-22(33)31-7-5-4-6-8-31;1-26(2)15-32(13-23(33)29-17-6-4-3-5-7-17)22(14-35-26)25(34)31-20-11-16(27)10-19-18-8-9-28-12-21(18)30-24(19)20;1-15-10-27-11-19-22(15)17-8-16(26)9-18(23(17)28-19)29-24(33)20-13-35-25(2,3)14-31(20)12-21(32)30-4-6-34-7-5-30;1-15-11-26-12-19-22(15)17-9-16(25)10-18(23(17)27-19)28-24(32)20-14-33-8-7-30(20)13-21(31)29-5-3-2-4-6-29;1-14-10-25-11-18-21(14)16-8-15(24)9-17(22(16)26-18)27-23(31)19-13-32-7-6-29(19)12-20(30)28-4-2-3-5-28/h9-12,21,29H,4-8,13-15H2,1-3H3,(H,30,34);8-12,17,22,30H,3-7,13-15H2,1-2H3,(H,29,33)(H,31,34);8-11,20,28H,4-7,12-14H2,1-3H3,(H,29,33);9-12,20,27H,2-8,13-14H2,1H3,(H,28,32);8-11,19,26H,2-7,12-13H2,1H3,(H,27,31)/t21-;22-;2*20-;19-/m00000/s1
• InChIKey: AISPSXPRBIXKDQ-PCXQXNISSA-N
• XLogP: 17.57
• TPSA: 470.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.97
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The IUPAC name of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 157128012) is (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

What is the SMILES notation for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The canonical SMILES for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)NC2CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCCCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COC(C)(C)CN4CC(=O)N4CCOCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COCCN4CC(=O)N4CCCC4)cc(Cl)cc3c12.Cc1cncc2[nH]c3c(NC(=O)[C@@H]4COCCN4CC(=O)N4CCCCC4)cc(Cl)cc3c12.

What is the InChIKey of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

The InChIKey is AISPSXPRBIXKDQ-PCXQXNISSA-N. The full InChI is InChI=1S/2C26H32ClN5O3.C25H30ClN5O4.C24H28ClN5O3.C23H26ClN5O3/c1-16-11-28-12-20-23(16)18-9-17(27)10-19(24(18)29-20)30-25(34)21-14-35-26(2,3)15-32(21)13-22(33)31-7-5-4-6-8-31;1-26(2)15-32(13-23(33)29-17-6-4-3-5-7-17)22(14-35-26)25(34)31-20-11-16(27)10-19-18-8-9-28-12-21(18)30-24(19)20;1-15-10-27-11-19-22(15)17-8-16(26)9-18(23(17)28-19)29-24(33)20-13-35-25(2,3)14-31(20)12-21(32)30-4-6-34-7-5-30;1-15-11-26-12-19-22(15)17-9-16(25)10-18(23(17)27-19)28-24(32)20-14-33-8-7-30(20)13-21(31)29-5-3-2-4-6-29;1-14-10-25-11-18-21(14)16-8-15(24)9-17(22(16)26-18)27-23(31)19-13-32-7-6-29(19)12-20(30)28-4-2-3-5-28/h9-12,21,29H,4-8,13-15H2,1-3H3,(H,30,34);8-12,17,22,30H,3-7,13-15H2,1-2H3,(H,29,33)(H,31,34);8-11,20,28H,4-7,12-14H2,1-3H3,(H,29,33);9-12,20,27H,2-8,13-14H2,1H3,(H,28,32);8-11,19,26H,2-7,12-13H2,1H3,(H,27,31)/t21-;22-;2*20-;19-/m00000/s1.

What are the key properties of (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?

(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 2421.97 g/mol, XLogP of 17.57, 21 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-4-methyl-9H-pyrido[3,4-b]indol-8-yl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(cyclohexylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 157128012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).