4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C20H15F3N6O2S — CID 59603928

IUPAC4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1
InChIInChI=1S/C20H15F3N6O2S/c1-11(30)28-17-3-2-12(5-24-17)14-6-25-18-15(7-27-29(18)8-14)13-4-16(32-9-13)19(31)26-10-20(21,22)23/h2-9H,10H2,1H3,(H,26,31)(H,24,28,30)
InChIKeyBCIAWCTYEXGLJP-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.77
Rot. Bonds5

About 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 59603928) has the molecular formula C20H15F3N6O2S and a molecular weight of 460.44 g/mol. Its IUPAC name is 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID59603928
Molecular FormulaC20H15F3N6O2S
Molecular Weight460.44 g/mol
Exact Mass460.09
IUPAC Name4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1
InChIInChI=1S/C20H15F3N6O2S/c1-11(30)28-17-3-2-12(5-24-17)14-6-25-18-15(7-27-29(18)8-14)13-4-16(32-9-13)19(31)26-10-20(21,22)23/h2-9H,10H2,1H3,(H,26,31)(H,24,28,30)
InChIKeyBCIAWCTYEXGLJP-UHFFFAOYSA-N
XLogP3.77
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 59603928) is 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1.
What is the InChIKey of 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is BCIAWCTYEXGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2S/c1-11(30)28-17-3-2-12(5-24-17)14-6-25-18-15(7-27-29(18)8-14)13-4-16(32-9-13)19(31)26-10-20(21,22)23/h2-9H,10H2,1H3,(H,26,31)(H,24,28,30).
What are the key properties of 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 59603928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).