N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide

C223H163N37O15S — CID 172937561

IUPACN-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide
SMILESC/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cc1ccc2cc(NC(=O)c3ccccc3Sc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2n1.O=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccncc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)[nH]nc3c2)c1)c1ccccc1.O=C(c1cccc(NC(=O)C2C[C@H]2c2ccccc2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(c1cccc(NC(=O)c2ccccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C31H23N5OS.C31H24N4O2.C28H19N5O2.C28H20N4O2.2C27H19N5O2.C26H19N5O2.C25H20N4O2/c1-20-9-10-21-18-23(12-15-27(21)33-20)34-31(37)26-7-2-3-8-30(26)38-24-13-14-25-28(35-36-29(25)19-24)16-11-22-6-4-5-17-32-22;36-30(22-12-14-25-28(34-35-29(25)18-22)15-13-23-10-4-5-16-32-23)21-9-6-11-24(17-21)33-31(37)27-19-26(27)20-7-2-1-3-8-20;34-26(18-9-6-10-20(15-18)29-28(35)17-7-2-1-3-8-17)19-13-14-21-24(16-19)32-33-25(21)27-30-22-11-4-5-12-23(22)31-27;33-27(20-9-6-11-23(17-20)30-28(34)19-7-2-1-3-8-19)21-12-14-24-25(31-32-26(24)18-21)15-13-22-10-4-5-16-29-22;33-26(18-6-5-8-21(16-18)30-27(34)24-9-2-4-15-29-24)19-10-12-22-23(31-32-25(22)17-19)13-11-20-7-1-3-14-28-20;33-26(19-4-3-6-22(16-19)30-27(34)18-11-14-28-15-12-18)20-7-9-23-24(31-32-25(23)17-20)10-8-21-5-1-2-13-29-21;32-25(19-9-6-10-21(15-19)28-26(33)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-30-24(22)17-27-31-13-4-5-14-31;1-2-6-24(30)27-20-9-5-7-17(15-20)25(31)18-10-12-21-22(28-29-23(21)16-18)13-11-19-8-3-4-14-26-19/h2-19H,1H3,(H,34,37)(H,35,36);1-18,26-27H,19H2,(H,33,37)(H,34,35);1-16H,(H,29,35)(H,30,31)(H,32,33);1-18H,(H,30,34)(H,31,32);2*1-17H,(H,30,34)(H,31,32);1-17H,(H,28,33)(H,29,30);2-16H,1H3,(H,27,30)(H,28,29)/b16-11+;15-13+;;15-13+;13-11+;10-8+;27-17+;6-2+,13-11+/t;26-,27?;;;;;;/m.0....../s1
InChIKeyNVBGUSWQVSHHGL-TVTWIIFWSA-N
MW3633.07 g/mol
LogP44.31
Rot. Bonds48

About N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide

N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide (PubChem CID 172937561) has the molecular formula C223H163N37O15S and a molecular weight of 3633.07 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide
PubChem CID172937561
Molecular FormulaC223H163N37O15S
Molecular Weight3633.07 g/mol
Exact Mass3630.29
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide
SMILESC/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cc1ccc2cc(NC(=O)c3ccccc3Sc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2n1.O=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccncc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)[nH]nc3c2)c1)c1ccccc1.O=C(c1cccc(NC(=O)C2C[C@H]2c2ccccc2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(c1cccc(NC(=O)c2ccccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C31H23N5OS.C31H24N4O2.C28H19N5O2.C28H20N4O2.2C27H19N5O2.C26H19N5O2.C25H20N4O2/c1-20-9-10-21-18-23(12-15-27(21)33-20)34-31(37)26-7-2-3-8-30(26)38-24-13-14-25-28(35-36-29(25)19-24)16-11-22-6-4-5-17-32-22;36-30(22-12-14-25-28(34-35-29(25)18-22)15-13-23-10-4-5-16-32-23)21-9-6-11-24(17-21)33-31(37)27-19-26(27)20-7-2-1-3-8-20;34-26(18-9-6-10-20(15-18)29-28(35)17-7-2-1-3-8-17)19-13-14-21-24(16-19)32-33-25(21)27-30-22-11-4-5-12-23(22)31-27;33-27(20-9-6-11-23(17-20)30-28(34)19-7-2-1-3-8-19)21-12-14-24-25(31-32-26(24)18-21)15-13-22-10-4-5-16-29-22;33-26(18-6-5-8-21(16-18)30-27(34)24-9-2-4-15-29-24)19-10-12-22-23(31-32-25(22)17-19)13-11-20-7-1-3-14-28-20;33-26(19-4-3-6-22(16-19)30-27(34)18-11-14-28-15-12-18)20-7-9-23-24(31-32-25(23)17-20)10-8-21-5-1-2-13-29-21;32-25(19-9-6-10-21(15-19)28-26(33)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-30-24(22)17-27-31-13-4-5-14-31;1-2-6-24(30)27-20-9-5-7-17(15-20)25(31)18-10-12-21-22(28-29-23(21)16-18)13-11-19-8-3-4-14-26-19/h2-19H,1H3,(H,34,37)(H,35,36);1-18,26-27H,19H2,(H,33,37)(H,34,35);1-16H,(H,29,35)(H,30,31)(H,32,33);1-18H,(H,30,34)(H,31,32);2*1-17H,(H,30,34)(H,31,32);1-17H,(H,28,33)(H,29,30);2-16H,1H3,(H,27,30)(H,28,29)/b16-11+;15-13+;;15-13+;13-11+;10-8+;27-17+;6-2+,13-11+/t;26-,27?;;;;;;/m.0....../s1
InChIKeyNVBGUSWQVSHHGL-TVTWIIFWSA-N
XLogP44.31
TPSA743.71 Ų
H-Bond Donors17
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003633.07
LogP ≤ 544.31
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide (CID 172937561) is N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide is C/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.Cc1ccc2cc(NC(=O)c3ccccc3Sc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2n1.O=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccncc1.O=C(Nc1cccc(C(=O)c2ccc3c(/C=N/n4cccc4)[nH]nc3c2)c1)c1ccccc1.O=C(c1cccc(NC(=O)C2C[C@H]2c2ccccc2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.O=C(c1cccc(NC(=O)c2ccccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide?
The InChIKey is NVBGUSWQVSHHGL-TVTWIIFWSA-N. The full InChI is InChI=1S/C31H23N5OS.C31H24N4O2.C28H19N5O2.C28H20N4O2.2C27H19N5O2.C26H19N5O2.C25H20N4O2/c1-20-9-10-21-18-23(12-15-27(21)33-20)34-31(37)26-7-2-3-8-30(26)38-24-13-14-25-28(35-36-29(25)19-24)16-11-22-6-4-5-17-32-22;36-30(22-12-14-25-28(34-35-29(25)18-22)15-13-23-10-4-5-16-32-23)21-9-6-11-24(17-21)33-31(37)27-19-26(27)20-7-2-1-3-8-20;34-26(18-9-6-10-20(15-18)29-28(35)17-7-2-1-3-8-17)19-13-14-21-24(16-19)32-33-25(21)27-30-22-11-4-5-12-23(22)31-27;33-27(20-9-6-11-23(17-20)30-28(34)19-7-2-1-3-8-19)21-12-14-24-25(31-32-26(24)18-21)15-13-22-10-4-5-16-29-22;33-26(18-6-5-8-21(16-18)30-27(34)24-9-2-4-15-29-24)19-10-12-22-23(31-32-25(22)17-19)13-11-20-7-1-3-14-28-20;33-26(19-4-3-6-22(16-19)30-27(34)18-11-14-28-15-12-18)20-7-9-23-24(31-32-25(23)17-20)10-8-21-5-1-2-13-29-21;32-25(19-9-6-10-21(15-19)28-26(33)18-7-2-1-3-8-18)20-11-12-22-23(16-20)29-30-24(22)17-27-31-13-4-5-14-31;1-2-6-24(30)27-20-9-5-7-17(15-20)25(31)18-10-12-21-22(28-29-23(21)16-18)13-11-19-8-3-4-14-26-19/h2-19H,1H3,(H,34,37)(H,35,36);1-18,26-27H,19H2,(H,33,37)(H,34,35);1-16H,(H,29,35)(H,30,31)(H,32,33);1-18H,(H,30,34)(H,31,32);2*1-17H,(H,30,34)(H,31,32);1-17H,(H,28,33)(H,29,30);2-16H,1H3,(H,27,30)(H,28,29)/b16-11+;15-13+;;15-13+;13-11+;10-8+;27-17+;6-2+,13-11+/t;26-,27?;;;;;;/m.0....../s1.
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide?
N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide has a molecular weight of 3633.07 g/mol, XLogP of 44.31, 48 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide;N-(2-methylquinolin-6-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;(2R)-2-phenyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide;N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide is sourced from PubChem (CID 172937561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).