(3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C22H23N9O — CID 97428843

About (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 97428843) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 97428843
• Molecular Formula: C22H23N9O
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.20
• IUPAC Name: (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n(-c2ccccc2)n1
• InChI: InChI=1S/C22H23N9O/c1-16-12-21(31(28-16)18-7-3-2-4-8-18)25-22(32)17-6-5-11-29(13-17)19-9-10-20(27-26-19)30-15-23-14-24-30/h2-4,7-10,12,14-15,17H,5-6,11,13H2,1H3,(H,25,32)/t17-/m1/s1
• InChIKey: TVGTYUJZIFTQRE-QGZVFWFLSA-N
• XLogP: 2.41
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 97428843) is (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n(-c2ccccc2)n1.

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

The InChIKey is TVGTYUJZIFTQRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N9O/c1-16-12-21(31(28-16)18-7-3-2-4-8-18)25-22(32)17-6-5-11-29(13-17)19-9-10-20(27-26-19)30-15-23-14-24-30/h2-4,7-10,12,14-15,17H,5-6,11,13H2,1H3,(H,25,32)/t17-/m1/s1.

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

(3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97428843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).