4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide

C20H19F3N6O2S — CID 59603955

About 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 59603955) has the molecular formula C20H19F3N6O2S and a molecular weight of 464.47 g/mol. Its IUPAC name is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 59603955
• Molecular Formula: C20H19F3N6O2S
• Molecular Weight: 464.47 g/mol
• Exact Mass: 464.12
• IUPAC Name: 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
• SMILES: Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H](C(C)(C)O)C(F)(F)F)c4)cnn3c2)cn1
• InChI: InChI=1S/C20H19F3N6O2S/c1-19(2,31)18(20(21,22)23)27-17(30)15-4-11(10-32-15)14-7-26-29-9-12(5-24-16(14)29)13-6-25-28(3)8-13/h4-10,18,31H,1-3H3,(H,27,30)/t18-/m0/s1
• InChIKey: KULYMHSCRWFTOR-SFHVURJKSA-N
• XLogP: 3.29
• TPSA: 97.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.47
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide (CID 59603955) is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide is Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H](C(C)(C)O)C(F)(F)F)c4)cnn3c2)cn1.

What is the InChIKey of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide?

The InChIKey is KULYMHSCRWFTOR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19F3N6O2S/c1-19(2,31)18(20(21,22)23)27-17(30)15-4-11(10-32-15)14-7-26-29-9-12(5-24-16(14)29)13-6-25-28(3)8-13/h4-10,18,31H,1-3H3,(H,27,30)/t18-/m0/s1.

What are the key properties of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide?

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59603955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).