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

C25H27N7OS — CID 90514338

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

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 90514338) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 90514338
• Molecular Formula: C25H27N7OS
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.20
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccc(-c5csc(C)n5)c4)CC3)nn2)n1
• InChI: InChI=1S/C25H27N7OS/c1-16-13-17(2)32(30-16)24-8-7-23(28-29-24)31-11-9-19(10-12-31)25(33)27-21-6-4-5-20(14-21)22-15-34-18(3)26-22/h4-8,13-15,19H,9-12H2,1-3H3,(H,27,33)
• InChIKey: QDKKQEXJXRURAA-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 90514338) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccc(-c5csc(C)n5)c4)CC3)nn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is QDKKQEXJXRURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-16-13-17(2)32(30-16)24-8-7-23(28-29-24)31-11-9-19(10-12-31)25(33)27-21-6-4-5-20(14-21)22-15-34-18(3)26-22/h4-8,13-15,19H,9-12H2,1-3H3,(H,27,33).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 473.61 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 90514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).