N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

C60H44N14O — CID 137122417

IUPACN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C60H44N14O/c75-60(37-8-2-1-3-9-37)65-43-25-42(32-63-33-43)40-27-47(53-48(28-40)57(73-71-53)59-67-50-12-6-10-44(54(50)68-59)36-16-19-61-20-17-36)52-29-39(18-21-64-52)45-11-7-13-51-55(45)69-58(66-51)56-46-26-38(14-15-49(46)70-72-56)41-24-35(30-62-31-41)34-74-22-4-5-23-74/h1-3,6-21,24-33H,4-5,22-23,34H2,(H,65,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73)
InChIKeyVAKSAPDJZMAMOS-UHFFFAOYSA-N
MW977.11 g/mol
LogP12.29
Rot. Bonds11

About N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137122417) has the molecular formula C60H44N14O and a molecular weight of 977.11 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID137122417
Molecular FormulaC60H44N14O
Molecular Weight977.11 g/mol
Exact Mass976.38
IUPAC NameN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C60H44N14O/c75-60(37-8-2-1-3-9-37)65-43-25-42(32-63-33-43)40-27-47(53-48(28-40)57(73-71-53)59-67-50-12-6-10-44(54(50)68-59)36-16-19-61-20-17-36)52-29-39(18-21-64-52)45-11-7-13-51-55(45)69-58(66-51)56-46-26-38(14-15-49(46)70-72-56)41-24-35(30-62-31-41)34-74-22-4-5-23-74/h1-3,6-21,24-33H,4-5,22-23,34H2,(H,65,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73)
InChIKeyVAKSAPDJZMAMOS-UHFFFAOYSA-N
XLogP12.29
TPSA198.62 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.11
LogP ≤ 512.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-pyrimidinyl)-5-[5-(1-piperidinylmethyl)-3-pyridinyl]-1H-Indazole-3-carboxamide
CID 89444844
3-methyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136273211
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[6-[(4-pyridin-2-ylphenyl)methylamino]-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 136176136
3-[[4-amino-3-(2-amino-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58008606
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135985991
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 135987322
2,2-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987329
N-[5-[3-[7-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136214338
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136214343
N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136273209
3-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509549

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137122417) is N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)ccn3)c3[nH]nc(-c4nc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is VAKSAPDJZMAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N14O/c75-60(37-8-2-1-3-9-37)65-43-25-42(32-63-33-43)40-27-47(53-48(28-40)57(73-71-53)59-67-50-12-6-10-44(54(50)68-59)36-16-19-61-20-17-36)52-29-39(18-21-64-52)45-11-7-13-51-55(45)69-58(66-51)56-46-26-38(14-15-49(46)70-72-56)41-24-35(30-62-31-41)34-74-22-4-5-23-74/h1-3,6-21,24-33H,4-5,22-23,34H2,(H,65,75)(H,66,69)(H,67,68)(H,70,72)(H,71,73).
What are the key properties of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 977.11 g/mol, XLogP of 12.29, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137122417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).