N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide

C26H23F2N5O3 — CID 46283308

IUPACN-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1
InChIInChI=1S/C26H23F2N5O3/c27-18-5-7-19(8-6-18)31-13-15-32(16-14-31)24-11-12-25(34)33(30-24)17-20-9-10-23(36-20)26(35)29-22-4-2-1-3-21(22)28/h1-12H,13-17H2,(H,29,35)
InChIKeyCLUSNEFMEKYFHU-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.74
Rot. Bonds6

About N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide

N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 46283308) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide
PubChem CID46283308
Molecular FormulaC26H23F2N5O3
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC NameN-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1
InChIInChI=1S/C26H23F2N5O3/c27-18-5-7-19(8-6-18)31-13-15-32(16-14-31)24-11-12-25(34)33(30-24)17-20-9-10-23(36-20)26(35)29-22-4-2-1-3-21(22)28/h1-12H,13-17H2,(H,29,35)
InChIKeyCLUSNEFMEKYFHU-UHFFFAOYSA-N
XLogP3.74
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283267
N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283292
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
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53023524
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[(4-fluorophenyl)methyl]-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163356905
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024539
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide (CID 46283308) is N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is CLUSNEFMEKYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c27-18-5-7-19(8-6-18)31-13-15-32(16-14-31)24-11-12-25(34)33(30-24)17-20-9-10-23(36-20)26(35)29-22-4-2-1-3-21(22)28/h1-12H,13-17H2,(H,29,35).
What are the key properties of N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide?
N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).