1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

C22H26N6OS — CID 90514318

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C22H26N6OS/c1-15-14-16(2)28(26-15)21-9-8-20(24-25-21)27-12-10-17(11-13-27)22(29)23-18-6-4-5-7-19(18)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,29)
InChIKeyZRVUCSUCJHDWMJ-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.86
Rot. Bonds5

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 90514318) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID90514318
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
InChIInChI=1S/C22H26N6OS/c1-15-14-16(2)28(26-15)21-9-8-20(24-25-21)27-12-10-17(11-13-27)22(29)23-18-6-4-5-7-19(18)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,29)
InChIKeyZRVUCSUCJHDWMJ-UHFFFAOYSA-N
XLogP3.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(9H-fluoren-2-yl)piperidine-4-carboxamide
CID 90514340
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308
methyl 2-[[(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 94920585

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide (CID 90514318) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1ccccc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is ZRVUCSUCJHDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-15-14-16(2)28(26-15)21-9-8-20(24-25-21)27-12-10-17(11-13-27)22(29)23-18-6-4-5-7-19(18)30-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,29).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90514318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).