N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide

C27H27N7O — CID 135928481

IUPACN-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C27H27N7O/c1-17(35)28-20-9-6-18(7-10-20)19-8-11-21-23(16-19)31-32-25(21)27-29-22-4-3-5-24(26(22)30-27)34-14-12-33(2)13-15-34/h3-11,16H,12-15H2,1-2H3,(H,28,35)(H,29,30)(H,31,32)
InChIKeyKZHUDHDVXIZFPR-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.48
Rot. Bonds4

About N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide

N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide (PubChem CID 135928481) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide
PubChem CID135928481
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC NameN-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C27H27N7O/c1-17(35)28-20-9-6-18(7-10-20)19-8-11-21-23(16-19)31-32-25(21)27-29-22-4-3-5-24(26(22)30-27)34-14-12-33(2)13-15-34/h3-11,16H,12-15H2,1-2H3,(H,28,35)(H,29,30)(H,31,32)
InChIKeyKZHUDHDVXIZFPR-UHFFFAOYSA-N
XLogP4.48
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide 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-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide (CID 135928481) is N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide?
The InChIKey is KZHUDHDVXIZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-17(35)28-20-9-6-18(7-10-20)19-8-11-21-23(16-19)31-32-25(21)27-29-22-4-3-5-24(26(22)30-27)34-14-12-33(2)13-15-34/h3-11,16H,12-15H2,1-2H3,(H,28,35)(H,29,30)(H,31,32).
What are the key properties of N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide?
N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide has a molecular weight of 465.56 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]acetamide is sourced from PubChem (CID 135928481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).