1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea

C21H20N6O — CID 67306410

IUPAC1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea
SMILESCC(Nc1ccc2ncc(NC(=O)Nc3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C21H20N6O/c1-15(16-8-4-2-5-9-16)23-18-12-13-19-22-14-20(27(19)26-18)25-21(28)24-17-10-6-3-7-11-17/h2-15H,1H3,(H,23,26)(H2,24,25,28)
InChIKeyMLUHUAVKQZFTCA-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.55
Rot. Bonds5

About 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea

1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea (PubChem CID 67306410) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea
PubChem CID67306410
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea
SMILESCC(Nc1ccc2ncc(NC(=O)Nc3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C21H20N6O/c1-15(16-8-4-2-5-9-16)23-18-12-13-19-22-14-20(27(19)26-18)25-21(28)24-17-10-6-3-7-11-17/h2-15H,1H3,(H,23,26)(H2,24,25,28)
InChIKeyMLUHUAVKQZFTCA-UHFFFAOYSA-N
XLogP4.55
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea?
The IUPAC name of 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea (CID 67306410) is 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea.
What is the SMILES notation for 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea?
The canonical SMILES for 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea is CC(Nc1ccc2ncc(NC(=O)Nc3ccccc3)n2n1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea?
The InChIKey is MLUHUAVKQZFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-15(16-8-4-2-5-9-16)23-18-12-13-19-22-14-20(27(19)26-18)25-21(28)24-17-10-6-3-7-11-17/h2-15H,1H3,(H,23,26)(H2,24,25,28).
What are the key properties of 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea?
1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea has a molecular weight of 372.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea is sourced from PubChem (CID 67306410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).