(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C118H138Cl5F2N25O17 — CID 159561151

IUPAC(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CC1(C)CN(CC(=O)N2CCOCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CCN(C)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.CNC(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.C[C@H](C(=O)N1CCOCC1)N1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C25H29ClFN5O3.C25H30ClN5O4.C24H27ClFN5O4.C23H28ClN5O3.C21H24ClN5O3/c1-25(2)14-32(12-21(33)31-6-4-3-5-7-31)20(13-35-25)24(34)30-18-9-15(26)8-16-22-17(27)10-28-11-19(22)29-23(16)18;1-15(24(33)30-6-8-34-9-7-30)31-14-25(2,3)35-13-21(31)23(32)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-22(18)19;1-24(2)13-31(11-20(32)30-3-5-34-6-4-30)19(12-35-24)23(33)29-17-8-14(25)7-15-21-16(26)9-27-10-18(21)28-22(15)17;1-5-28(4)20(30)11-29-13-23(2,3)32-12-19(29)22(31)27-17-9-14(24)8-16-15-6-7-25-10-18(15)26-21(16)17;1-21(2)11-27(9-18(28)23-3)17(10-30-21)20(29)26-15-7-12(22)6-14-13-4-5-24-8-16(13)25-19(14)15/h8-11,20,29H,3-7,12-14H2,1-2H3,(H,30,34);4-5,10-12,15,21,28H,6-9,13-14H2,1-3H3,(H,29,32);7-10,19,28H,3-6,11-13H2,1-2H3,(H,29,33);6-10,19,26H,5,11-13H2,1-4H3,(H,27,31);4-8,17,25H,9-11H2,1-3H3,(H,23,28)(H,26,29)/t20-;15-,21+;2*19-;17-/m01000/s1
InChIKeyMGQHZWXMAGUUKM-ZMBBRCSKSA-N
MW2393.82 g/mol
LogP15.56
Rot. Bonds21

About (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 159561151) has the molecular formula C118H138Cl5F2N25O17 and a molecular weight of 2393.82 g/mol. Its IUPAC name is (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
PubChem CID159561151
Molecular FormulaC118H138Cl5F2N25O17
Molecular Weight2393.82 g/mol
Exact Mass2389.91
IUPAC Name(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CC1(C)CN(CC(=O)N2CCOCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CCN(C)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.CNC(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.C[C@H](C(=O)N1CCOCC1)N1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C25H29ClFN5O3.C25H30ClN5O4.C24H27ClFN5O4.C23H28ClN5O3.C21H24ClN5O3/c1-25(2)14-32(12-21(33)31-6-4-3-5-7-31)20(13-35-25)24(34)30-18-9-15(26)8-16-22-17(27)10-28-11-19(22)29-23(16)18;1-15(24(33)30-6-8-34-9-7-30)31-14-25(2,3)35-13-21(31)23(32)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-22(18)19;1-24(2)13-31(11-20(32)30-3-5-34-6-4-30)19(12-35-24)23(33)29-17-8-14(25)7-15-21-16(26)9-27-10-18(21)28-22(15)17;1-5-28(4)20(30)11-29-13-23(2,3)32-12-19(29)22(31)27-17-9-14(24)8-16-15-6-7-25-10-18(15)26-21(16)17;1-21(2)11-27(9-18(28)23-3)17(10-30-21)20(29)26-15-7-12(22)6-14-13-4-5-24-8-16(13)25-19(14)15/h8-11,20,29H,3-7,12-14H2,1-2H3,(H,30,34);4-5,10-12,15,21,28H,6-9,13-14H2,1-3H3,(H,29,32);7-10,19,28H,3-6,11-13H2,1-2H3,(H,29,33);6-10,19,26H,5,11-13H2,1-4H3,(H,27,31);4-8,17,25H,9-11H2,1-3H3,(H,23,28)(H,26,29)/t20-;15-,21+;2*19-;17-/m01000/s1
InChIKeyMGQHZWXMAGUUKM-ZMBBRCSKSA-N
XLogP15.56
TPSA480.05 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.82
LogP ≤ 515.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Mln-0415
CID 11642049
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxamide
CID 11226006
(3S)-4-[(2S)-2-acetamidopropyl]-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 11248543
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine-3-carboxamide
CID 11519649
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11526467
(3S)-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide
CID 11569626
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11649104
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11649299
(3S)-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)morpholine-3-carboxamide
CID 11706074
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 60043362
(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
CID 60043371
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
CID 60043373

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 159561151) is (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CC1(C)CN(CC(=O)N2CCOCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)CO1.CCN(C)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.CNC(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.C[C@H](C(=O)N1CCOCC1)N1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The InChIKey is MGQHZWXMAGUUKM-ZMBBRCSKSA-N. The full InChI is InChI=1S/C25H29ClFN5O3.C25H30ClN5O4.C24H27ClFN5O4.C23H28ClN5O3.C21H24ClN5O3/c1-25(2)14-32(12-21(33)31-6-4-3-5-7-31)20(13-35-25)24(34)30-18-9-15(26)8-16-22-17(27)10-28-11-19(22)29-23(16)18;1-15(24(33)30-6-8-34-9-7-30)31-14-25(2,3)35-13-21(31)23(32)29-19-11-16(26)10-18-17-4-5-27-12-20(17)28-22(18)19;1-24(2)13-31(11-20(32)30-3-5-34-6-4-30)19(12-35-24)23(33)29-17-8-14(25)7-15-21-16(26)9-27-10-18(21)28-22(15)17;1-5-28(4)20(30)11-29-13-23(2,3)32-12-19(29)22(31)27-17-9-14(24)8-16-15-6-7-25-10-18(15)26-21(16)17;1-21(2)11-27(9-18(28)23-3)17(10-30-21)20(29)26-15-7-12(22)6-14-13-4-5-24-8-16(13)25-19(14)15/h8-11,20,29H,3-7,12-14H2,1-2H3,(H,30,34);4-5,10-12,15,21,28H,6-9,13-14H2,1-3H3,(H,29,32);7-10,19,28H,3-6,11-13H2,1-2H3,(H,29,33);6-10,19,26H,5,11-13H2,1-4H3,(H,27,31);4-8,17,25H,9-11H2,1-3H3,(H,23,28)(H,26,29)/t20-;15-,21+;2*19-;17-/m01000/s1.
What are the key properties of (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
(3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 2393.82 g/mol, XLogP of 15.56, 21 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-4-fluoro-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-fluoro-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-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(methylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[ethyl(methyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 159561151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).