N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide

C26H24FN5O3 — CID 46283267

IUPACN-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1
InChIInChI=1S/C26H24FN5O3/c27-19-5-4-6-20(17-19)28-26(34)23-10-9-22(35-23)18-32-25(33)12-11-24(29-32)31-15-13-30(14-16-31)21-7-2-1-3-8-21/h1-12,17H,13-16,18H2,(H,28,34)
InChIKeyHKBLXDFHPIPLIK-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.60
Rot. Bonds6

About N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide

N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 46283267) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
PubChem CID46283267
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC NameN-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1
InChIInChI=1S/C26H24FN5O3/c27-19-5-4-6-20(17-19)28-26(34)23-10-9-22(35-23)18-32-25(33)12-11-24(29-32)31-15-13-30(14-16-31)21-7-2-1-3-8-21/h1-12,17H,13-16,18H2,(H,28,34)
InChIKeyHKBLXDFHPIPLIK-UHFFFAOYSA-N
XLogP3.60
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283292
N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283308
N-[(3-methoxyphenyl)methyl]-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283277
2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
CID 46283288
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53023524
6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109352037
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide (CID 46283267) is N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1.
What is the InChIKey of N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is HKBLXDFHPIPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-19-5-4-6-20(17-19)28-26(34)23-10-9-22(35-23)18-32-25(33)12-11-24(29-32)31-15-13-30(14-16-31)21-7-2-1-3-8-21/h1-12,17H,13-16,18H2,(H,28,34).
What are the key properties of N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46283267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).