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

C23H23N7OS — CID 121104136

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

N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121104136) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121104136
• Molecular Formula: C23H23N7OS
• Molecular Weight: 445.55 g/mol
• Exact Mass: 445.17
• IUPAC Name: N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)sn1
• InChI: InChI=1S/C23H23N7OS/c1-16-14-21(32-28-16)25-23(31)18-8-5-12-29(15-18)19-9-10-20(27-26-19)30-13-11-24-22(30)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,18H,5,8,12,15H2,1H3,(H,25,31)
• InChIKey: NNAYKUSWQGJMSO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.55
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121104136) is N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3ccc(-n4ccnc4-c4ccccc4)nn3)C2)sn1.

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

The InChIKey is NNAYKUSWQGJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-16-14-21(32-28-16)25-23(31)18-8-5-12-29(15-18)19-9-10-20(27-26-19)30-13-11-24-22(30)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,18H,5,8,12,15H2,1H3,(H,25,31).

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

N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121104136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).