4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine

C23H26FN7OS — CID 123742910

IUPAC4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCOCC1CN(c2ccc3nc(C)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3n2)CCN1
InChIInChI=1S/C23H26FN7OS/c1-15-22(29(2)23-27-19(14-33-23)16-4-6-17(24)7-5-16)31-20(26-15)8-9-21(28-31)30-11-10-25-18(12-30)13-32-3/h4-9,14,18,25H,10-13H2,1-3H3
InChIKeyAUCQAVFRPJVUTO-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.49
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 123742910) has the molecular formula C23H26FN7OS and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID123742910
Molecular FormulaC23H26FN7OS
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCOCC1CN(c2ccc3nc(C)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3n2)CCN1
InChIInChI=1S/C23H26FN7OS/c1-15-22(29(2)23-27-19(14-33-23)16-4-6-17(24)7-5-16)31-20(26-15)8-9-21(28-31)30-11-10-25-18(12-30)13-32-3/h4-9,14,18,25H,10-13H2,1-3H3
InChIKeyAUCQAVFRPJVUTO-UHFFFAOYSA-N
XLogP3.49
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 123742910) is 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine is COCC1CN(c2ccc3nc(C)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3n2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is AUCQAVFRPJVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7OS/c1-15-22(29(2)23-27-19(14-33-23)16-4-6-17(24)7-5-16)31-20(26-15)8-9-21(28-31)30-11-10-25-18(12-30)13-32-3/h4-9,14,18,25H,10-13H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 467.57 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-[3-(methoxymethyl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123742910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).