5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile

C26H23FN8 — CID 167237343

IUPAC5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile
SMILESCc1cccc(F)c1-c1cc2c(-c3cn4nc(N5CCN(C)CC5)ccc4n3)n[nH]c2cc1C#N
InChIInChI=1S/C26H23FN8/c1-16-4-3-5-20(27)25(16)18-13-19-21(12-17(18)14-28)30-31-26(19)22-15-35-23(29-22)6-7-24(32-35)34-10-8-33(2)9-11-34/h3-7,12-13,15H,8-11H2,1-2H3,(H,30,31)
InChIKeyIAYANRHLGLLORY-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.01
Rot. Bonds3

About 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile

5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile (PubChem CID 167237343) has the molecular formula C26H23FN8 and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile
PubChem CID167237343
Molecular FormulaC26H23FN8
Molecular Weight466.52 g/mol
Exact Mass466.20
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile
SMILESCc1cccc(F)c1-c1cc2c(-c3cn4nc(N5CCN(C)CC5)ccc4n3)n[nH]c2cc1C#N
InChIInChI=1S/C26H23FN8/c1-16-4-3-5-20(27)25(16)18-13-19-21(12-17(18)14-28)30-31-26(19)22-15-35-23(29-22)6-7-24(32-35)34-10-8-33(2)9-11-34/h3-7,12-13,15H,8-11H2,1-2H3,(H,30,31)
InChIKeyIAYANRHLGLLORY-UHFFFAOYSA-N
XLogP4.01
TPSA89.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile 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 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile (CID 167237343) is 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile is Cc1cccc(F)c1-c1cc2c(-c3cn4nc(N5CCN(C)CC5)ccc4n3)n[nH]c2cc1C#N.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile?
The InChIKey is IAYANRHLGLLORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8/c1-16-4-3-5-20(27)25(16)18-13-19-21(12-17(18)14-28)30-31-26(19)22-15-35-23(29-22)6-7-24(32-35)34-10-8-33(2)9-11-34/h3-7,12-13,15H,8-11H2,1-2H3,(H,30,31).
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile?
5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile has a molecular weight of 466.52 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 167237343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).