2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid

C27H24F5N7O2S — CID 175896901

About 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 175896901) has the molecular formula C27H24F5N7O2S and a molecular weight of 605.59 g/mol. Its IUPAC name is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 175896901
• Molecular Formula: C27H24F5N7O2S
• Molecular Weight: 605.59 g/mol
• Exact Mass: 605.16
• IUPAC Name: 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: CCc1nn2cc(F)c(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H23F2N7S.C2HF3O2/c1-3-18-23(32(2)24-30-22(21(9-28)35-24)15-4-6-16(26)7-5-15)20-8-19(17(27)10-34(20)31-18)33-13-25(14-33)11-29-12-25;3-2(4,5)1(6)7/h4-8,10,29H,3,11-14H2,1-2H3;(H,6,7)
• InChIKey: UFUAEQRSRUHCPH-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 109.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.59
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid (CID 175896901) is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid is CCc1nn2cc(F)c(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is UFUAEQRSRUHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7S.C2HF3O2/c1-3-18-23(32(2)24-30-22(21(9-28)35-24)15-4-6-16(26)7-5-15)20-8-19(17(27)10-34(20)31-18)33-13-25(14-33)11-29-12-25;3-2(4,5)1(6)7/h4-8,10,29H,3,11-14H2,1-2H3;(H,6,7).

What are the key properties of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid?

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 605.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175896901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).