6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one

C26H28N6O3 — CID 20934609

IUPAC6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4ccc(Cn5nc(C)cc5C)o4)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N6O3/c1-18-4-6-21(7-5-18)32-25(33)11-10-24(28-32)29-12-14-30(15-13-29)26(34)23-9-8-22(35-23)17-31-20(3)16-19(2)27-31/h4-11,16H,12-15,17H2,1-3H3
InChIKeyAXBFCSWYGOFWBV-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.96
Rot. Bonds5

About 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one

6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 20934609) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
PubChem CID20934609
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4ccc(Cn5nc(C)cc5C)o4)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N6O3/c1-18-4-6-21(7-5-18)32-25(33)11-10-24(28-32)29-12-14-30(15-13-29)26(34)23-9-8-22(35-23)17-31-20(3)16-19(2)27-31/h4-11,16H,12-15,17H2,1-3H3
InChIKeyAXBFCSWYGOFWBV-UHFFFAOYSA-N
XLogP2.96
TPSA89.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081418
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 50789133
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95330872
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918280
2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
CID 46283288
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
N-(4-methylphenyl)-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283292
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one (CID 20934609) is 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(Cn5nc(C)cc5C)o4)CC3)ccc2=O)cc1.
What is the InChIKey of 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is AXBFCSWYGOFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-18-4-6-21(7-5-18)32-25(33)11-10-24(28-32)29-12-14-30(15-13-29)26(34)23-9-8-22(35-23)17-31-20(3)16-19(2)27-31/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 472.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 20934609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).