3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide

C47H41BrF6N12O4 — CID 159832476

About 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 159832476) has the molecular formula C47H41BrF6N12O4 and a molecular weight of 1031.82 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 159832476
• Molecular Formula: C47H41BrF6N12O4
• Molecular Weight: 1031.82 g/mol
• Exact Mass: 1030.25
• IUPAC Name: 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: CCN(C(=O)c1ccn2ncc(-c3ccc(C(=O)NC)nc3)c2c1)c1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C(F)(F)F)cn1.CNC(=O)c1ccc(C)cn1
• InChI: InChI=1S/C23H19F3N6O2.C16H12BrF3N4O.C8H10N2O/c1-3-31(20-7-5-16(12-29-20)23(24,25)26)22(34)14-8-9-32-19(10-14)17(13-30-32)15-4-6-18(28-11-15)21(33)27-2;1-2-23(14-4-3-11(8-21-14)16(18,19)20)15(25)10-5-6-24-13(7-10)12(17)9-22-24;1-6-3-4-7(10-5-6)8(11)9-2/h4-13H,3H2,1-2H3,(H,27,33);3-9H,2H2,1H3;3-5H,1-2H3,(H,9,11)
• InChIKey: NNQCZJGJZKGLQM-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 184.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.82
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 159832476) is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide is CCN(C(=O)c1ccn2ncc(-c3ccc(C(=O)NC)nc3)c2c1)c1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C(F)(F)F)cn1.CNC(=O)c1ccc(C)cn1.

What is the InChIKey of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is NNQCZJGJZKGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2.C16H12BrF3N4O.C8H10N2O/c1-3-31(20-7-5-16(12-29-20)23(24,25)26)22(34)14-8-9-32-19(10-14)17(13-30-32)15-4-6-18(28-11-15)21(33)27-2;1-2-23(14-4-3-11(8-21-14)16(18,19)20)15(25)10-5-6-24-13(7-10)12(17)9-22-24;1-6-3-4-7(10-5-6)8(11)9-2/h4-13H,3H2,1-2H3,(H,27,33);3-9H,2H2,1H3;3-5H,1-2H3,(H,9,11).

What are the key properties of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?

3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 1031.82 g/mol, XLogP of 8.76, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 159832476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).