1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide

C23H22ClF3N6O3 — CID 163295979

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 163295979) has the molecular formula C23H22ClF3N6O3 and a molecular weight of 522.92 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide
• PubChem CID: 163295979
• Molecular Formula: C23H22ClF3N6O3
• Molecular Weight: 522.92 g/mol
• Exact Mass: 522.14
• IUPAC Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncccc4C(F)(F)F)CC3)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C23H22ClF3N6O3/c1-36-20-9-14(16(24)11-29-20)17-10-18(32-31-17)22(35)33-7-4-13(5-8-33)21(34)30-12-19-15(23(25,26)27)3-2-6-28-19/h2-3,6,9-11,13H,4-5,7-8,12H2,1H3,(H,30,34)(H,31,32)
• InChIKey: SBAIZOZTHIRHBQ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.92
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide (CID 163295979) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncccc4C(F)(F)F)CC3)[nH]n2)c(Cl)cn1.

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

The InChIKey is SBAIZOZTHIRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O3/c1-36-20-9-14(16(24)11-29-20)17-10-18(32-31-17)22(35)33-7-4-13(5-8-33)21(34)30-12-19-15(23(25,26)27)3-2-6-28-19/h2-3,6,9-11,13H,4-5,7-8,12H2,1H3,(H,30,34)(H,31,32).

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 522.92 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163295979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).