6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide

C22H22FN5O — CID 109123192

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1
InChIInChI=1S/C22H22FN5O/c1-16-2-6-18(7-3-16)24-22(29)20-10-11-21(26-25-20)28-14-12-27(13-15-28)19-8-4-17(23)5-9-19/h2-11H,12-15H2,1H3,(H,24,29)
InChIKeyZYJOOLIMLJPFKW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.50
Rot. Bonds4

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109123192) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
PubChem CID109123192
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1
InChIInChI=1S/C22H22FN5O/c1-16-2-6-18(7-3-16)24-22(29)20-10-11-21(26-25-20)28-14-12-27(13-15-28)19-8-4-17(23)5-9-19/h2-11H,12-15H2,1H3,(H,24,29)
InChIKeyZYJOOLIMLJPFKW-UHFFFAOYSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide (CID 109123192) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is ZYJOOLIMLJPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-16-2-6-18(7-3-16)24-22(29)20-10-11-21(26-25-20)28-14-12-27(13-15-28)19-8-4-17(23)5-9-19/h2-11H,12-15H2,1H3,(H,24,29).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).