1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea

C23H18FN7O — CID 90248400

IUPAC1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
SMILESCn1cc(-c2ccc3nc(NC(=O)Nc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN7O/c1-30-13-18(22(29-30)15-7-9-16(24)10-8-15)19-11-12-21-26-20(14-31(21)28-19)27-23(32)25-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,27,32)
InChIKeyZRLLBGAGPVNRQZ-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.58
Rot. Bonds4

About 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea

1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea (PubChem CID 90248400) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
PubChem CID90248400
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
SMILESCn1cc(-c2ccc3nc(NC(=O)Nc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN7O/c1-30-13-18(22(29-30)15-7-9-16(24)10-8-15)19-11-12-21-26-20(14-31(21)28-19)27-23(32)25-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,27,32)
InChIKeyZRLLBGAGPVNRQZ-UHFFFAOYSA-N
XLogP4.58
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea 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 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea?
The IUPAC name of 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea (CID 90248400) is 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea is Cn1cc(-c2ccc3nc(NC(=O)Nc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea?
The InChIKey is ZRLLBGAGPVNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-30-13-18(22(29-30)15-7-9-16(24)10-8-15)19-11-12-21-26-20(14-31(21)28-19)27-23(32)25-17-5-3-2-4-6-17/h2-14H,1H3,(H2,25,27,32).
What are the key properties of 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea?
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea has a molecular weight of 427.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea is sourced from PubChem (CID 90248400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).