1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

C20H16ClN5O2 — CID 58243079

IUPAC1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCOc1cccc(-c2ccc3nc(NC(=O)Nc4ccc(Cl)cc4)cn3n2)c1
InChIInChI=1S/C20H16ClN5O2/c1-28-16-4-2-3-13(11-16)17-9-10-19-23-18(12-26(19)25-17)24-20(27)22-15-7-5-14(21)6-8-15/h2-12H,1H3,(H2,22,24,27)
InChIKeyZXISOZZPVHSXDQ-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (PubChem CID 58243079) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
PubChem CID58243079
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCOc1cccc(-c2ccc3nc(NC(=O)Nc4ccc(Cl)cc4)cn3n2)c1
InChIInChI=1S/C20H16ClN5O2/c1-28-16-4-2-3-13(11-16)17-9-10-19-23-18(12-26(19)25-17)24-20(27)22-15-7-5-14(21)6-8-15/h2-12H,1H3,(H2,22,24,27)
InChIKeyZXISOZZPVHSXDQ-UHFFFAOYSA-N
XLogP4.70
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (CID 58243079) is 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is COc1cccc(-c2ccc3nc(NC(=O)Nc4ccc(Cl)cc4)cn3n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The InChIKey is ZXISOZZPVHSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-28-16-4-2-3-13(11-16)17-9-10-19-23-18(12-26(19)25-17)24-20(27)22-15-7-5-14(21)6-8-15/h2-12H,1H3,(H2,22,24,27).
What are the key properties of 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea has a molecular weight of 393.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is sourced from PubChem (CID 58243079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).