N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide

C23H24BrF3N6O3 — CID 167521998

About N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide

N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide (PubChem CID 167521998) has the molecular formula C23H24BrF3N6O3 and a molecular weight of 569.38 g/mol. Its IUPAC name is N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 167521998
• Molecular Formula: C23H24BrF3N6O3
• Molecular Weight: 569.38 g/mol
• Exact Mass: 568.10
• IUPAC Name: N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide
• SMILES: CC1(C)CC(C(=O)NC(C#N)c2cnn3cccc(Br)c23)N(C(=O)C(NC(=O)C(F)(F)F)C2CC2)C1
• InChI: InChI=1S/C23H24BrF3N6O3/c1-22(2)8-16(32(11-22)20(35)17(12-5-6-12)31-21(36)23(25,26)27)19(34)30-15(9-28)13-10-29-33-7-3-4-14(24)18(13)33/h3-4,7,10,12,15-17H,5-6,8,11H2,1-2H3,(H,30,34)(H,31,36)
• InChIKey: LQZVLMRTYZHGSJ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 119.60 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	569.38
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide (CID 167521998) is N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide is CC1(C)CC(C(=O)NC(C#N)c2cnn3cccc(Br)c23)N(C(=O)C(NC(=O)C(F)(F)F)C2CC2)C1.

What is the InChIKey of N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide?

The InChIKey is LQZVLMRTYZHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrF3N6O3/c1-22(2)8-16(32(11-22)20(35)17(12-5-6-12)31-21(36)23(25,26)27)19(34)30-15(9-28)13-10-29-33-7-3-4-14(24)18(13)33/h3-4,7,10,12,15-17H,5-6,8,11H2,1-2H3,(H,30,34)(H,31,36).

What are the key properties of N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide?

N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide has a molecular weight of 569.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromopyrazolo[1,5-a]pyridin-3-yl)-cyanomethyl]-1-[2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-4,4-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167521998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).