6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide

C200H185N33O16S3 — CID 161293754

IUPAC6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(C#N)c5)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(O)c5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(Oc5ccccc5C#N)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1
InChIInChI=1S/C31H27N5O3.C31H27N5O2.C31H29N3O3.C29H28N4O2.C27H25N5O2S.C26H25N5O2S.C25H24N6O2S/c1-36-14-13-22-9-11-27(16-26(22)20-36)35-31(38)23-7-4-5-21(15-23)18-34-30(37)25-10-12-29(33-19-25)39-28-8-3-2-6-24(28)17-32;1-36-13-12-23-8-10-28(16-27(23)20-36)35-31(38)25-7-3-5-22(15-25)18-34-30(37)26-9-11-29(33-19-26)24-6-2-4-21(14-24)17-32;1-34-15-14-23-12-13-28(17-27(23)20-34)33-31(37)26-6-2-4-21(16-26)19-32-30(36)24-10-8-22(9-11-24)25-5-3-7-29(35)18-25;1-33-13-11-21-8-9-27(16-26(21)19-33)32-29(35)23-6-2-4-20(14-23)17-31-28(34)24-7-3-5-22(15-24)25-10-12-30-18-25;1-32-12-10-23-24(17-32)35-27(30-23)31-26(34)20-7-2-5-18(13-20)15-29-25(33)21-8-3-6-19(14-21)22-9-4-11-28-16-22;1-31-11-9-22-23(16-31)34-26(29-22)30-25(33)19-6-2-4-17(12-19)14-28-24(32)20-7-3-5-18(13-20)21-8-10-27-15-21;1-30-11-9-21-22(15-30)34-25(28-21)29-24(33)19-4-2-3-17(13-19)14-27-23(32)18-5-7-20(8-6-18)31-12-10-26-16-31/h2-12,15-16,19H,13-14,18,20H2,1H3,(H,34,37)(H,35,38);2-11,14-16,19H,12-13,18,20H2,1H3,(H,34,37)(H,35,38);2-13,16-18,35H,14-15,19-20H2,1H3,(H,32,36)(H,33,37);2-10,14-16,18H,11-13,17,19H2,1H3,(H,31,34)(H,32,35);2-9,11,13-14,16H,10,12,15,17H2,1H3,(H,29,33)(H,30,31,34);2-8,12-13,15H,9-11,14,16H2,1H3,(H,28,32)(H,29,30,33);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyVGRVYWPMPRITAM-UHFFFAOYSA-N
MW3403.10 g/mol
LogP30.92
Rot. Bonds43

About 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide

6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide (PubChem CID 161293754) has the molecular formula C200H185N33O16S3 and a molecular weight of 3403.10 g/mol. Its IUPAC name is 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide
PubChem CID161293754
Molecular FormulaC200H185N33O16S3
Molecular Weight3403.10 g/mol
Exact Mass3400.38
IUPAC Name6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(C#N)c5)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(O)c5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(Oc5ccccc5C#N)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1
InChIInChI=1S/C31H27N5O3.C31H27N5O2.C31H29N3O3.C29H28N4O2.C27H25N5O2S.C26H25N5O2S.C25H24N6O2S/c1-36-14-13-22-9-11-27(16-26(22)20-36)35-31(38)23-7-4-5-21(15-23)18-34-30(37)25-10-12-29(33-19-25)39-28-8-3-2-6-24(28)17-32;1-36-13-12-23-8-10-28(16-27(23)20-36)35-31(38)25-7-3-5-22(15-25)18-34-30(37)26-9-11-29(33-19-26)24-6-2-4-21(14-24)17-32;1-34-15-14-23-12-13-28(17-27(23)20-34)33-31(37)26-6-2-4-21(16-26)19-32-30(36)24-10-8-22(9-11-24)25-5-3-7-29(35)18-25;1-33-13-11-21-8-9-27(16-26(21)19-33)32-29(35)23-6-2-4-20(14-23)17-31-28(34)24-7-3-5-22(15-24)25-10-12-30-18-25;1-32-12-10-23-24(17-32)35-27(30-23)31-26(34)20-7-2-5-18(13-20)15-29-25(33)21-8-3-6-19(14-21)22-9-4-11-28-16-22;1-31-11-9-22-23(16-31)34-26(29-22)30-25(33)19-6-2-4-17(12-19)14-28-24(32)20-7-3-5-18(13-20)21-8-10-27-15-21;1-30-11-9-21-22(15-30)34-25(28-21)29-24(33)19-4-2-3-17(13-19)14-27-23(32)18-5-7-20(8-6-18)31-12-10-26-16-31/h2-12,15-16,19H,13-14,18,20H2,1H3,(H,34,37)(H,35,38);2-11,14-16,19H,12-13,18,20H2,1H3,(H,34,37)(H,35,38);2-13,16-18,35H,14-15,19-20H2,1H3,(H,32,36)(H,33,37);2-10,14-16,18H,11-13,17,19H2,1H3,(H,31,34)(H,32,35);2-9,11,13-14,16H,10,12,15,17H2,1H3,(H,29,33)(H,30,31,34);2-8,12-13,15H,9-11,14,16H2,1H3,(H,28,32)(H,29,30,33);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyVGRVYWPMPRITAM-UHFFFAOYSA-N
XLogP30.92
TPSA627.00 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003403.10
LogP ≤ 530.92
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide?
The IUPAC name of 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide (CID 161293754) is 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide is CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(C#N)c5)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccc(O)c5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(Oc5ccccc5C#N)nc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cccnc5)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.
What is the InChIKey of 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide?
The InChIKey is VGRVYWPMPRITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O3.C31H27N5O2.C31H29N3O3.C29H28N4O2.C27H25N5O2S.C26H25N5O2S.C25H24N6O2S/c1-36-14-13-22-9-11-27(16-26(22)20-36)35-31(38)23-7-4-5-21(15-23)18-34-30(37)25-10-12-29(33-19-25)39-28-8-3-2-6-24(28)17-32;1-36-13-12-23-8-10-28(16-27(23)20-36)35-31(38)25-7-3-5-22(15-25)18-34-30(37)26-9-11-29(33-19-26)24-6-2-4-21(14-24)17-32;1-34-15-14-23-12-13-28(17-27(23)20-34)33-31(37)26-6-2-4-21(16-26)19-32-30(36)24-10-8-22(9-11-24)25-5-3-7-29(35)18-25;1-33-13-11-21-8-9-27(16-26(21)19-33)32-29(35)23-6-2-4-20(14-23)17-31-28(34)24-7-3-5-22(15-24)25-10-12-30-18-25;1-32-12-10-23-24(17-32)35-27(30-23)31-26(34)20-7-2-5-18(13-20)15-29-25(33)21-8-3-6-19(14-21)22-9-4-11-28-16-22;1-31-11-9-22-23(16-31)34-26(29-22)30-25(33)19-6-2-4-17(12-19)14-28-24(32)20-7-3-5-18(13-20)21-8-10-27-15-21;1-30-11-9-21-22(15-30)34-25(28-21)29-24(33)19-4-2-3-17(13-19)14-27-23(32)18-5-7-20(8-6-18)31-12-10-26-16-31/h2-12,15-16,19H,13-14,18,20H2,1H3,(H,34,37)(H,35,38);2-11,14-16,19H,12-13,18,20H2,1H3,(H,34,37)(H,35,38);2-13,16-18,35H,14-15,19-20H2,1H3,(H,32,36)(H,33,37);2-10,14-16,18H,11-13,17,19H2,1H3,(H,31,34)(H,32,35);2-9,11,13-14,16H,10,12,15,17H2,1H3,(H,29,33)(H,30,31,34);2-8,12-13,15H,9-11,14,16H2,1H3,(H,28,32)(H,29,30,33);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide?
6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide has a molecular weight of 3403.10 g/mol, XLogP of 30.92, 43 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanophenoxy)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;6-(3-cyanophenyl)-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]pyridine-3-carboxamide;3-[[[4-(3-hydroxyphenyl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 161293754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).