N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride

C135H119BBr3Cl2N27O9Si2 — CID 158436568

About N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride (PubChem CID 158436568) has the molecular formula C135H119BBr3Cl2N27O9Si2 and a molecular weight of 2641.22 g/mol. Its IUPAC name is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride
• PubChem CID: 158436568
• Molecular Formula: C135H119BBr3Cl2N27O9Si2
• Molecular Weight: 2641.22 g/mol
• Exact Mass: 2635.62
• IUPAC Name: N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride
• SMILES: CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NC(=O)c5cccnc5)cccc34)ccc21.Cl.Nc1cccc2c(Br)cncc12.O=C(Cl)c1cccnc1.O=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1.O=C(Nc1cccc2c(Br)cncc12)c1cccnc1.O=C(Nc1cccc2c(Br)cncc12)c1cccnc1
• InChI: InChI=1S/C35H33N7O2Si.C29H19N7O.C26H35BN4O3Si.2C15H10BrN3O.C9H7BrN2.C6H4ClNO.ClH/c1-45(2,3)17-16-44-22-42-32-14-13-23(18-26(32)33(41-42)34-38-30-10-4-5-11-31(30)39-34)27-20-37-21-28-25(27)9-6-12-29(28)40-35(43)24-8-7-15-36-19-24;37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*16-13-9-18-8-12-11(13)4-1-5-14(12)19-15(20)10-3-2-6-17-7-10;10-8-5-12-4-7-6(8)2-1-3-9(7)11;7-6(9)5-2-1-3-8-4-5;/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,39)(H,40,43);1-16H,(H,32,33)(H,34,37)(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*1-9H,(H,19,20);1-5H,11H2;1-4H;1H
• InChIKey: IQTXEBIDAOTJHI-UHFFFAOYSA-N
• XLogP: 30.67
• TPSA: 475.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2641.22
LogP ≤ 5	30.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride?

The IUPAC name of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride (CID 158436568) is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride.

What is the SMILES notation for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride?

The canonical SMILES for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride is CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NC(=O)c5cccnc5)cccc34)ccc21.Cl.Nc1cccc2c(Br)cncc12.O=C(Cl)c1cccnc1.O=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1.O=C(Nc1cccc2c(Br)cncc12)c1cccnc1.O=C(Nc1cccc2c(Br)cncc12)c1cccnc1.

What is the InChIKey of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride?

The InChIKey is IQTXEBIDAOTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O2Si.C29H19N7O.C26H35BN4O3Si.2C15H10BrN3O.C9H7BrN2.C6H4ClNO.ClH/c1-45(2,3)17-16-44-22-42-32-14-13-23(18-26(32)33(41-42)34-38-30-10-4-5-11-31(30)39-34)27-20-37-21-28-25(27)9-6-12-29(28)40-35(43)24-8-7-15-36-19-24;37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*16-13-9-18-8-12-11(13)4-1-5-14(12)19-15(20)10-3-2-6-17-7-10;10-8-5-12-4-7-6(8)2-1-3-9(7)11;7-6(9)5-2-1-3-8-4-5;/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,39)(H,40,43);1-16H,(H,32,33)(H,34,37)(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*1-9H,(H,19,20);1-5H,11H2;1-4H;1H.

What are the key properties of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride?

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride has a molecular weight of 2641.22 g/mol, XLogP of 30.67, 25 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;4-bromoisoquinolin-8-amine;bis(N-(4-bromoisoquinolin-8-yl)pyridine-3-carboxamide);pyridine-3-carbonyl chloride;hydrochloride is sourced from PubChem (CID 158436568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).