6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one

C23H23FN6O2 — CID 122279363

IUPAC6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C23H23FN6O2/c24-18-3-1-2-16(14-18)15-30-22(31)9-7-20(27-30)23(32)29-12-10-28(11-13-29)21-8-6-19(25-26-21)17-4-5-17/h1-3,6-9,14,17H,4-5,10-13,15H2
InChIKeyLRZDKMCAZDUHGF-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.06
Rot. Bonds5

About 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one

6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 122279363) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID122279363
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C23H23FN6O2/c24-18-3-1-2-16(14-18)15-30-22(31)9-7-20(27-30)23(32)29-12-10-28(11-13-29)21-8-6-19(25-26-21)17-4-5-17/h1-3,6-9,14,17H,4-5,10-13,15H2
InChIKeyLRZDKMCAZDUHGF-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one with MolForge

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Related Compounds

6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 121107255
6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 42161951
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 122279645
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
CID 122279579
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279228
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 122279363) is 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one is O=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is LRZDKMCAZDUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-18-3-1-2-16(14-18)15-30-22(31)9-7-20(27-30)23(32)29-12-10-28(11-13-29)21-8-6-19(25-26-21)17-4-5-17/h1-3,6-9,14,17H,4-5,10-13,15H2.
What are the key properties of 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 434.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 122279363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).