1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea

C20H22N6O2 — CID 43992997

IUPAC1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)Nc4ccco4)cc3)nn2)CC1
InChIInChI=1S/C20H22N6O2/c1-25-10-12-26(13-11-25)18-9-8-17(23-24-18)15-4-6-16(7-5-15)21-20(27)22-19-3-2-14-28-19/h2-9,14H,10-13H2,1H3,(H2,21,22,27)
InChIKeyKMZLABYZZNXXCF-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.13
Rot. Bonds4

About 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea

1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea (PubChem CID 43992997) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
PubChem CID43992997
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)Nc4ccco4)cc3)nn2)CC1
InChIInChI=1S/C20H22N6O2/c1-25-10-12-26(13-11-25)18-9-8-17(23-24-18)15-4-6-16(7-5-15)21-20(27)22-19-3-2-14-28-19/h2-9,14H,10-13H2,1H3,(H2,21,22,27)
InChIKeyKMZLABYZZNXXCF-UHFFFAOYSA-N
XLogP3.13
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43992967
1-(furan-2-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991870
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
1-(2,6-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992738
1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The IUPAC name of 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea (CID 43992997) is 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The canonical SMILES for 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea is CN1CCN(c2ccc(-c3ccc(NC(=O)Nc4ccco4)cc3)nn2)CC1.
What is the InChIKey of 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The InChIKey is KMZLABYZZNXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-10-12-26(13-11-25)18-9-8-17(23-24-18)15-4-6-16(7-5-15)21-20(27)22-19-3-2-14-28-19/h2-9,14H,10-13H2,1H3,(H2,21,22,27).
What are the key properties of 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea has a molecular weight of 378.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea is sourced from PubChem (CID 43992997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).