6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine

C20H21FN8 — CID 90241487

IUPAC6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1N1CCNCC1
InChIInChI=1S/C20H21FN8/c1-27-20(28-10-8-23-9-11-28)18(19(26-27)13-2-4-14(21)5-3-13)15-6-7-17-24-16(22)12-29(17)25-15/h2-7,12,23H,8-11,22H2,1H3
InChIKeyULJDRHHKZQHYLW-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.93
Rot. Bonds3

About 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine

6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 90241487) has the molecular formula C20H21FN8 and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
PubChem CID90241487
Molecular FormulaC20H21FN8
Molecular Weight392.44 g/mol
Exact Mass392.19
IUPAC Name6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1N1CCNCC1
InChIInChI=1S/C20H21FN8/c1-27-20(28-10-8-23-9-11-28)18(19(26-27)13-2-4-14(21)5-3-13)15-6-7-17-24-16(22)12-29(17)25-15/h2-7,12,23H,8-11,22H2,1H3
InChIKeyULJDRHHKZQHYLW-UHFFFAOYSA-N
XLogP1.93
TPSA89.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine (CID 90241487) is 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1N1CCNCC1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is ULJDRHHKZQHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8/c1-27-20(28-10-8-23-9-11-28)18(19(26-27)13-2-4-14(21)5-3-13)15-6-7-17-24-16(22)12-29(17)25-15/h2-7,12,23H,8-11,22H2,1H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine?
6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 392.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 90241487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).