N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

C113H129ClN26O10S2 — CID 163502059

IUPACN-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3c(Cl)nc4sccn34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3csc4ccccc34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4c3cnn4C)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4ccccc34)nc2)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2ccc(NCc3cnc4ccccn34)nc2)C1
InChIInChI=1S/C25H28N4O2.C24H28N6O2.C23H28N6O2.C22H24N4O2S.C19H21ClN6O2S/c1-17(22-10-6-8-19-7-4-5-9-23(19)22)27-24-12-11-20(15-26-24)25(31)29-14-13-21(16-29)28(3)18(2)30;1-28(23(31)17-5-4-6-17)19-10-12-29(16-19)24(32)18-8-9-21(25-13-18)26-14-20-15-27-22-7-2-3-11-30(20)22;1-15(19-6-5-7-21-20(19)13-25-28(21)4)26-22-9-8-17(12-24-22)23(31)29-11-10-18(14-29)27(3)16(2)30;1-15(27)25(2)18-9-10-26(13-18)22(28)16-7-8-21(23-11-16)24-12-17-14-29-20-6-4-3-5-19(17)20;1-12(27)24(2)14-5-6-25(11-14)18(28)13-3-4-16(21-9-13)22-10-15-17(20)23-19-26(15)7-8-29-19/h4-12,15,17,21H,13-14,16H2,1-3H3,(H,26,27);2-3,7-9,11,13,15,17,19H,4-6,10,12,14,16H2,1H3,(H,25,26);5-9,12-13,15,18H,10-11,14H2,1-4H3,(H,24,26);3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24);3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,21,22)/t17-,21-;19-;15-,18-;18-;14-/m00000/s1
InChIKeyCVPDXSJXZDOEGJ-NNYPRZCASA-N
MW2111.03 g/mol
LogP16.10
Rot. Bonds26

About N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 163502059) has the molecular formula C113H129ClN26O10S2 and a molecular weight of 2111.03 g/mol. Its IUPAC name is N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID163502059
Molecular FormulaC113H129ClN26O10S2
Molecular Weight2111.03 g/mol
Exact Mass2108.95
IUPAC NameN-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3c(Cl)nc4sccn34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3csc4ccccc34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4c3cnn4C)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4ccccc34)nc2)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2ccc(NCc3cnc4ccccn34)nc2)C1
InChIInChI=1S/C25H28N4O2.C24H28N6O2.C23H28N6O2.C22H24N4O2S.C19H21ClN6O2S/c1-17(22-10-6-8-19-7-4-5-9-23(19)22)27-24-12-11-20(15-26-24)25(31)29-14-13-21(16-29)28(3)18(2)30;1-28(23(31)17-5-4-6-17)19-10-12-29(16-19)24(32)18-8-9-21(25-13-18)26-14-20-15-27-22-7-2-3-11-30(20)22;1-15(19-6-5-7-21-20(19)13-25-28(21)4)26-22-9-8-17(12-24-22)23(31)29-11-10-18(14-29)27(3)16(2)30;1-15(27)25(2)18-9-10-26(13-18)22(28)16-7-8-21(23-11-16)24-12-17-14-29-20-6-4-3-5-19(17)20;1-12(27)24(2)14-5-6-25(11-14)18(28)13-3-4-16(21-9-13)22-10-15-17(20)23-19-26(15)7-8-29-19/h4-12,15,17,21H,13-14,16H2,1-3H3,(H,26,27);2-3,7-9,11,13,15,17,19H,4-6,10,12,14,16H2,1H3,(H,25,26);5-9,12-13,15,18H,10-11,14H2,1-4H3,(H,24,26);3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24);3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,21,22)/t17-,21-;19-;15-,18-;18-;14-/m00000/s1
InChIKeyCVPDXSJXZDOEGJ-NNYPRZCASA-N
XLogP16.10
TPSA380.12 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002111.03
LogP ≤ 516.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

3-[(1S)-1-[(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one;3-[(1S)-1-[(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 157098388
8-chloro-2-cyclopropyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-methylphenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-1-one
CID 157557166
CID 158566393
CID 158566393
(1R,5S)-N-[2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylimidazo[1,2-a]pyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylindolizin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methylphthalazin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159836120
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(cyclohexen-1-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164974987
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
N-[(1S)-1-[5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenyl-2-[(1S)-1-(1-pyrazolo[1,5-a]pyrimidin-3-ylethenylamino)ethyl]quinazolin-4-one
CID 157158467
5-[1-(6-aminopurin-9-yl)ethyl]-6-phenylthieno[2,3-c]pyridin-7-one;5-chloro-4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrimidine-2,4-diamine;4-[8-[(4,4-dimethylpiperidin-1-yl)methyl]-9-ethyl-2-(1H-inden-4-yl)purin-6-yl]morpholine;methane;3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 157262352
1-Methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 157306332
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-3,4-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-ylphenyl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157677840
5-[1-(6-aminopurin-9-yl)ethyl]-6-phenylthieno[2,3-c]pyridin-7-one;5-chloro-4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrimidine-2,4-diamine;4-[8-[(4,4-dimethylpiperidin-1-yl)methyl]-9-ethyl-2-(1H-inden-4-yl)purin-6-yl]morpholine;3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 158174849
8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;8-chloro-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;8-(6-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 158472850

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (CID 163502059) is N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3c(Cl)nc4sccn34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3csc4ccccc34)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4c3cnn4C)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc4ccccc34)nc2)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2ccc(NCc3cnc4ccccn34)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is CVPDXSJXZDOEGJ-NNYPRZCASA-N. The full InChI is InChI=1S/C25H28N4O2.C24H28N6O2.C23H28N6O2.C22H24N4O2S.C19H21ClN6O2S/c1-17(22-10-6-8-19-7-4-5-9-23(19)22)27-24-12-11-20(15-26-24)25(31)29-14-13-21(16-29)28(3)18(2)30;1-28(23(31)17-5-4-6-17)19-10-12-29(16-19)24(32)18-8-9-21(25-13-18)26-14-20-15-27-22-7-2-3-11-30(20)22;1-15(19-6-5-7-21-20(19)13-25-28(21)4)26-22-9-8-17(12-24-22)23(31)29-11-10-18(14-29)27(3)16(2)30;1-15(27)25(2)18-9-10-26(13-18)22(28)16-7-8-21(23-11-16)24-12-17-14-29-20-6-4-3-5-19(17)20;1-12(27)24(2)14-5-6-25(11-14)18(28)13-3-4-16(21-9-13)22-10-15-17(20)23-19-26(15)7-8-29-19/h4-12,15,17,21H,13-14,16H2,1-3H3,(H,26,27);2-3,7-9,11,13,15,17,19H,4-6,10,12,14,16H2,1H3,(H,25,26);5-9,12-13,15,18H,10-11,14H2,1-4H3,(H,24,26);3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24);3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,21,22)/t17-,21-;19-;15-,18-;18-;14-/m00000/s1.
What are the key properties of N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 2111.03 g/mol, XLogP of 16.10, 26 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(1-benzothiophen-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-(imidazo[1,2-a]pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1-methylindazol-4-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-naphthalen-1-ylethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 163502059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).