(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide

C107H116Cl3N23O13 — CID 159079380

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide (PubChem CID 159079380) has the molecular formula C107H116Cl3N23O13 and a molecular weight of 2038.61 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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide
• PubChem CID: 159079380
• Molecular Formula: C107H116Cl3N23O13
• Molecular Weight: 2038.61 g/mol
• Exact Mass: 2035.82
• IUPAC Name: (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)NCc2ccccn2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2cccnc2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)Nc2ccc3[nH]ccc3c2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.Cc1cc(NC(=O)C2COC(C)(C)CN2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2[nH]c3cnccc3c2c1
• InChI: InChI=1S/C28H27ClN6O3.C27H35N5O4.2C26H27ClN6O3/c1-28(2)15-35(13-25(36)32-18-3-4-21-16(9-18)5-8-31-21)24(14-38-28)27(37)34-22-11-17(29)10-20-19-6-7-30-12-23(19)33-26(20)22;1-16-8-20-19-6-7-28-10-22(19)29-25(20)21(9-16)30-26(34)23-14-35-27(4,5)15-32(23)13-24(33)31-11-17(2)36-18(3)12-31;1-26(2)15-33(13-23(34)30-11-16-4-3-6-28-10-16)22(14-36-26)25(35)32-20-9-17(27)8-19-18-5-7-29-12-21(18)31-24(19)20;1-26(2)15-33(13-23(34)30-11-17-5-3-4-7-29-17)22(14-36-26)25(35)32-20-10-16(27)9-19-18-6-8-28-12-21(18)31-24(19)20/h3-12,24,31,33H,13-15H2,1-2H3,(H,32,36)(H,34,37);6-10,17-18,23,29H,11-15H2,1-5H3,(H,30,34);2*3-10,12,22,31H,11,13-15H2,1-2H3,(H,30,34)(H,32,35)/t24-;17-,18+,23?;2*22-/m0.00/s1
• InChIKey: KAQWCDZAVGMEOC-ZHMSKHBASA-N
• XLogP: 14.98
• TPSA: 439.41 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.61
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide (CID 159079380) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide is CC1(C)CN(CC(=O)NCc2ccccn2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NCc2cccnc2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)Nc2ccc3[nH]ccc3c2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.Cc1cc(NC(=O)C2COC(C)(C)CN2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2[nH]c3cnccc3c2c1.

What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide?

The InChIKey is KAQWCDZAVGMEOC-ZHMSKHBASA-N. The full InChI is InChI=1S/C28H27ClN6O3.C27H35N5O4.2C26H27ClN6O3/c1-28(2)15-35(13-25(36)32-18-3-4-21-16(9-18)5-8-31-21)24(14-38-28)27(37)34-22-11-17(29)10-20-19-6-7-30-12-23(19)33-26(20)22;1-16-8-20-19-6-7-28-10-22(19)29-25(20)21(9-16)30-26(34)23-14-35-27(4,5)15-32(23)13-24(33)31-11-17(2)36-18(3)12-31;1-26(2)15-33(13-23(34)30-11-16-4-3-6-28-10-16)22(14-36-26)25(35)32-20-9-17(27)8-19-18-5-7-29-12-21(18)31-24(19)20;1-26(2)15-33(13-23(34)30-11-17-5-3-4-7-29-17)22(14-36-26)25(35)32-20-10-16(27)9-19-18-6-8-28-12-21(18)31-24(19)20/h3-12,24,31,33H,13-15H2,1-2H3,(H,32,36)(H,34,37);6-10,17-18,23,29H,11-15H2,1-5H3,(H,30,34);2*3-10,12,22,31H,11,13-15H2,1-2H3,(H,30,34)(H,32,35)/t24-;17-,18+,23?;2*22-/m0.00/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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide?

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide has a molecular weight of 2038.61 g/mol, XLogP of 14.98, 21 rotatable bonds, 12 hydrogen bond donors, and 23 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-(pyridin-2-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1H-indol-5-ylamino)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide;4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6,6-dimethyl-N-(6-methyl-9H-pyrido[3,4-b]indol-8-yl)morpholine-3-carboxamide is sourced from PubChem (CID 159079380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).