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

C27H27N5O3 — CID 46283292

IUPACN-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)cc1
InChIInChI=1S/C27H27N5O3/c1-20-7-9-21(10-8-20)28-27(34)24-12-11-23(35-24)19-32-26(33)14-13-25(29-32)31-17-15-30(16-18-31)22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,28,34)
InChIKeyRXNIOIBZDKILQC-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.77
Rot. Bonds6

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

N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 46283292) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
PubChem CID46283292
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)cc1
InChIInChI=1S/C27H27N5O3/c1-20-7-9-21(10-8-20)28-27(34)24-12-11-23(35-24)19-32-26(33)14-13-25(29-32)31-17-15-30(16-18-31)22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,28,34)
InChIKeyRXNIOIBZDKILQC-UHFFFAOYSA-N
XLogP3.77
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-(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
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 20934609
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 19467905
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
N-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46056237

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide (CID 46283292) is N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cn3nc(N4CCN(c5ccccc5)CC4)ccc3=O)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is RXNIOIBZDKILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-20-7-9-21(10-8-20)28-27(34)24-12-11-23(35-24)19-32-26(33)14-13-25(29-32)31-17-15-30(16-18-31)22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,28,34).
What are the key properties of N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide?
N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46283292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).