2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide

C138H125F3N16O14S3 — CID 158511978

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide
SMILESCCC(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.COc1ccc(-n2ncc(C(=O)Nc3cccc(CC4CNC(=O)c5ccccc54)c3)c2C)cc1.Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.O=C(Nc1cccc(CC2CNC(=O)c3ccccc32)c1)c1csc(-c2cccs2)n1.O=C1NCC(Cc2cccc(NC(=O)C(F)(F)F)c2)c2ccccc21.O=C1NCC(Cc2cccc(NC(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C29H25N3O3S.C28H26N4O3.C24H19N3O2S2.C20H20N2O2.C19H20N2O2.C18H15F3N2O2/c1-17-26(36-29(31-17)20-9-10-25-19(15-20)11-12-35-25)28(34)32-22-6-4-5-18(14-22)13-21-16-30-27(33)24-8-3-2-7-23(21)24;1-18-26(17-30-32(18)22-10-12-23(35-2)13-11-22)28(34)31-21-7-5-6-19(15-21)14-20-16-29-27(33)25-9-4-3-8-24(20)25;28-22-19-8-2-1-7-18(19)16(13-25-22)11-15-5-3-6-17(12-15)26-23(29)20-14-31-24(27-20)21-9-4-10-30-21;23-19(14-8-9-14)22-16-5-3-4-13(11-16)10-15-12-21-20(24)18-7-2-1-6-17(15)18;1-2-18(22)21-15-7-5-6-13(11-15)10-14-12-20-19(23)17-9-4-3-8-16(14)17;19-18(20,21)17(25)23-13-5-3-4-11(9-13)8-12-10-22-16(24)15-7-2-1-6-14(12)15/h2-10,14-15,21H,11-13,16H2,1H3,(H,30,33)(H,32,34);3-13,15,17,20H,14,16H2,1-2H3,(H,29,33)(H,31,34);1-10,12,14,16H,11,13H2,(H,25,28)(H,26,29);1-7,11,14-15H,8-10,12H2,(H,21,24)(H,22,23);3-9,11,14H,2,10,12H2,1H3,(H,20,23)(H,21,22);1-7,9,12H,8,10H2,(H,22,24)(H,23,25)
InChIKeyHLECELJZAQXUPA-UHFFFAOYSA-N
MW2384.81 g/mol
LogP24.55
Rot. Bonds27

About 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide (PubChem CID 158511978) has the molecular formula C138H125F3N16O14S3 and a molecular weight of 2384.81 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide
PubChem CID158511978
Molecular FormulaC138H125F3N16O14S3
Molecular Weight2384.81 g/mol
Exact Mass2382.87
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide
SMILESCCC(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.COc1ccc(-n2ncc(C(=O)Nc3cccc(CC4CNC(=O)c5ccccc54)c3)c2C)cc1.Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.O=C(Nc1cccc(CC2CNC(=O)c3ccccc32)c1)c1csc(-c2cccs2)n1.O=C1NCC(Cc2cccc(NC(=O)C(F)(F)F)c2)c2ccccc21.O=C1NCC(Cc2cccc(NC(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C29H25N3O3S.C28H26N4O3.C24H19N3O2S2.C20H20N2O2.C19H20N2O2.C18H15F3N2O2/c1-17-26(36-29(31-17)20-9-10-25-19(15-20)11-12-35-25)28(34)32-22-6-4-5-18(14-22)13-21-16-30-27(33)24-8-3-2-7-23(21)24;1-18-26(17-30-32(18)22-10-12-23(35-2)13-11-22)28(34)31-21-7-5-6-19(15-21)14-20-16-29-27(33)25-9-4-3-8-24(20)25;28-22-19-8-2-1-7-18(19)16(13-25-22)11-15-5-3-6-17(12-15)26-23(29)20-14-31-24(27-20)21-9-4-10-30-21;23-19(14-8-9-14)22-16-5-3-4-13(11-16)10-15-12-21-20(24)18-7-2-1-6-17(15)18;1-2-18(22)21-15-7-5-6-13(11-15)10-14-12-20-19(23)17-9-4-3-8-16(14)17;19-18(20,21)17(25)23-13-5-3-4-11(9-13)8-12-10-22-16(24)15-7-2-1-6-14(12)15/h2-10,14-15,21H,11-13,16H2,1H3,(H,30,33)(H,32,34);3-13,15,17,20H,14,16H2,1-2H3,(H,29,33)(H,31,34);1-10,12,14,16H,11,13H2,(H,25,28)(H,26,29);1-7,11,14-15H,8-10,12H2,(H,21,24)(H,22,23);3-9,11,14H,2,10,12H2,1H3,(H,20,23)(H,21,22);1-7,9,12H,8,10H2,(H,22,24)(H,23,25)
InChIKeyHLECELJZAQXUPA-UHFFFAOYSA-N
XLogP24.55
TPSA411.26 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.81
LogP ≤ 524.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2,5-dimethylfuran;1,4-dimethylpyrazole;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;2-methylpyridine;3-methylpyridine;bis(1-methylpyrrole);1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane;1,2,5-trimethylpyrrole
CID 157809555
5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 157109513
1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 157383280
CID 158053026
CID 158053026
5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylphenyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;phenyl (1S,4R)-5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 158095556
cumene;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylpyrrolidin-2-one;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159332560
5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 161575824

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide (CID 158511978) is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide is CCC(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.COc1ccc(-n2ncc(C(=O)Nc3cccc(CC4CNC(=O)c5ccccc54)c3)c2C)cc1.Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1cccc(CC2CNC(=O)c3ccccc32)c1.O=C(Nc1cccc(CC2CNC(=O)c3ccccc32)c1)c1csc(-c2cccs2)n1.O=C1NCC(Cc2cccc(NC(=O)C(F)(F)F)c2)c2ccccc21.O=C1NCC(Cc2cccc(NC(=O)C3CC3)c2)c2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide?
The InChIKey is HLECELJZAQXUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3S.C28H26N4O3.C24H19N3O2S2.C20H20N2O2.C19H20N2O2.C18H15F3N2O2/c1-17-26(36-29(31-17)20-9-10-25-19(15-20)11-12-35-25)28(34)32-22-6-4-5-18(14-22)13-21-16-30-27(33)24-8-3-2-7-23(21)24;1-18-26(17-30-32(18)22-10-12-23(35-2)13-11-22)28(34)31-21-7-5-6-19(15-21)14-20-16-29-27(33)25-9-4-3-8-24(20)25;28-22-19-8-2-1-7-18(19)16(13-25-22)11-15-5-3-6-17(12-15)26-23(29)20-14-31-24(27-20)21-9-4-10-30-21;23-19(14-8-9-14)22-16-5-3-4-13(11-16)10-15-12-21-20(24)18-7-2-1-6-17(15)18;1-2-18(22)21-15-7-5-6-13(11-15)10-14-12-20-19(23)17-9-4-3-8-16(14)17;19-18(20,21)17(25)23-13-5-3-4-11(9-13)8-12-10-22-16(24)15-7-2-1-6-14(12)15/h2-10,14-15,21H,11-13,16H2,1H3,(H,30,33)(H,32,34);3-13,15,17,20H,14,16H2,1-2H3,(H,29,33)(H,31,34);1-10,12,14,16H,11,13H2,(H,25,28)(H,26,29);1-7,11,14-15H,8-10,12H2,(H,21,24)(H,22,23);3-9,11,14H,2,10,12H2,1H3,(H,20,23)(H,21,22);1-7,9,12H,8,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide has a molecular weight of 2384.81 g/mol, XLogP of 24.55, 27 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide;1-(4-methoxyphenyl)-5-methyl-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]pyrazole-4-carboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]cyclopropanecarboxamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]propanamide;N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoro-N-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 158511978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).