N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

C59H52N12 — CID 137297514

IUPACN-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6Cn6nc(-c7nc8c(-c9ccccc9)cccc8[nH]7)c7cc(-c8cncc(CNCC)c8C)ccc76)cccc5[nH]4)c3c2)c1C
InChIInChI=1S/C59H52N12/c1-5-60-28-41-30-62-32-48(35(41)3)38-22-24-50-46(26-38)56(69-68-50)58-64-52-21-13-19-45(55(52)67-58)43-17-11-10-16-40(43)34-71-53-25-23-39(49-33-63-31-42(36(49)4)29-61-6-2)27-47(53)57(70-71)59-65-51-20-12-18-44(54(51)66-59)37-14-8-7-9-15-37/h7-27,30-33,60-61H,5-6,28-29,34H2,1-4H3,(H,64,67)(H,65,66)(H,68,69)
InChIKeyPDIHRFPAVPMZFU-UHFFFAOYSA-N
MW929.15 g/mol
LogP12.34
Rot. Bonds14

About N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 137297514) has the molecular formula C59H52N12 and a molecular weight of 929.15 g/mol. Its IUPAC name is N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID137297514
Molecular FormulaC59H52N12
Molecular Weight929.15 g/mol
Exact Mass928.44
IUPAC NameN-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6Cn6nc(-c7nc8c(-c9ccccc9)cccc8[nH]7)c7cc(-c8cncc(CNCC)c8C)ccc76)cccc5[nH]4)c3c2)c1C
InChIInChI=1S/C59H52N12/c1-5-60-28-41-30-62-32-48(35(41)3)38-22-24-50-46(26-38)56(69-68-50)58-64-52-21-13-19-45(55(52)67-58)43-17-11-10-16-40(43)34-71-53-25-23-39(49-33-63-31-42(36(49)4)29-61-6-2)27-47(53)57(70-71)59-65-51-20-12-18-44(54(51)66-59)37-14-8-7-9-15-37/h7-27,30-33,60-61H,5-6,28-29,34H2,1-4H3,(H,64,67)(H,65,66)(H,68,69)
InChIKeyPDIHRFPAVPMZFU-UHFFFAOYSA-N
XLogP12.34
TPSA153.70 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.15
LogP ≤ 512.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (CID 137297514) is N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6Cn6nc(-c7nc8c(-c9ccccc9)cccc8[nH]7)c7cc(-c8cncc(CNCC)c8C)ccc76)cccc5[nH]4)c3c2)c1C.
What is the InChIKey of N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is PDIHRFPAVPMZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N12/c1-5-60-28-41-30-62-32-48(35(41)3)38-22-24-50-46(26-38)56(69-68-50)58-64-52-21-13-19-45(55(52)67-58)43-17-11-10-16-40(43)34-71-53-25-23-39(49-33-63-31-42(36(49)4)29-61-6-2)27-47(53)57(70-71)59-65-51-20-12-18-44(54(51)66-59)37-14-8-7-9-15-37/h7-27,30-33,60-61H,5-6,28-29,34H2,1-4H3,(H,64,67)(H,65,66)(H,68,69).
What are the key properties of N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 929.15 g/mol, XLogP of 12.34, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[4-[2-[[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-3-(4-phenyl-1H-benzimidazol-2-yl)indazol-1-yl]methyl]phenyl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137297514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).