N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide

C21H21F3N6O3 — CID 55519778

About N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 55519778) has the molecular formula C21H21F3N6O3 and a molecular weight of 462.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
• PubChem CID: 55519778
• Molecular Formula: C21H21F3N6O3
• Molecular Weight: 462.43 g/mol
• Exact Mass: 462.16
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)CC2)no1
• InChI: InChI=1S/C21H21F3N6O3/c1-12-9-17(28-33-12)27-19(31)14-5-7-29(8-6-14)20(32)16-11-26-30(13(16)2)18-4-3-15(10-25-18)21(22,23)24/h3-4,9-11,14H,5-8H2,1-2H3,(H,27,28,31)
• InChIKey: HEXPIEJBSHZPIM-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide (CID 55519778) is N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)CC2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?

The InChIKey is HEXPIEJBSHZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O3/c1-12-9-17(28-33-12)27-19(31)14-5-7-29(8-6-14)20(32)16-11-26-30(13(16)2)18-4-3-15(10-25-18)21(22,23)24/h3-4,9-11,14H,5-8H2,1-2H3,(H,27,28,31).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide?

N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55519778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).