3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile

C20H19N7 — CID 135820452

IUPAC3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
SMILESCN1CCN(c2ccc3nc(-c4n[nH]c5cc(C#N)ccc45)[nH]c3c2)CC1
InChIInChI=1S/C20H19N7/c1-26-6-8-27(9-7-26)14-3-5-16-18(11-14)23-20(22-16)19-15-4-2-13(12-21)10-17(15)24-25-19/h2-5,10-11H,6-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyHCYKXYPMZFNKPM-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.73
Rot. Bonds2

About 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile

3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile (PubChem CID 135820452) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
PubChem CID135820452
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
SMILESCN1CCN(c2ccc3nc(-c4n[nH]c5cc(C#N)ccc45)[nH]c3c2)CC1
InChIInChI=1S/C20H19N7/c1-26-6-8-27(9-7-26)14-3-5-16-18(11-14)23-20(22-16)19-15-4-2-13(12-21)10-17(15)24-25-19/h2-5,10-11H,6-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyHCYKXYPMZFNKPM-UHFFFAOYSA-N
XLogP2.73
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile (CID 135820452) is 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile is CN1CCN(c2ccc3nc(-c4n[nH]c5cc(C#N)ccc45)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile?
The InChIKey is HCYKXYPMZFNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-26-6-8-27(9-7-26)14-3-5-16-18(11-14)23-20(22-16)19-15-4-2-13(12-21)10-17(15)24-25-19/h2-5,10-11H,6-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile?
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 135820452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).