4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide

C22H14F3N5O2S — CID 59603856

IUPAC4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccoc4)cnc23)cs1
InChIInChI=1S/C22H14F3N5O2S/c23-22(24,25)19(17-3-1-2-5-26-17)29-21(31)18-7-14(12-33-18)16-9-28-30-10-15(8-27-20(16)30)13-4-6-32-11-13/h1-12,19H,(H,29,31)
InChIKeyBRSMWGOMSUZMNB-UHFFFAOYSA-N
MW469.45 g/mol
LogP5.15
Rot. Bonds5

About 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide

4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 59603856) has the molecular formula C22H14F3N5O2S and a molecular weight of 469.45 g/mol. Its IUPAC name is 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide
PubChem CID59603856
Molecular FormulaC22H14F3N5O2S
Molecular Weight469.45 g/mol
Exact Mass469.08
IUPAC Name4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccoc4)cnc23)cs1
InChIInChI=1S/C22H14F3N5O2S/c23-22(24,25)19(17-3-1-2-5-26-17)29-21(31)18-7-14(12-33-18)16-9-28-30-10-15(8-27-20(16)30)13-4-6-32-11-13/h1-12,19H,(H,29,31)
InChIKeyBRSMWGOMSUZMNB-UHFFFAOYSA-N
XLogP5.15
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide (CID 59603856) is 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1cc(-c2cnn3cc(-c4ccoc4)cnc23)cs1.
What is the InChIKey of 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is BRSMWGOMSUZMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2S/c23-22(24,25)19(17-3-1-2-5-26-17)29-21(31)18-7-14(12-33-18)16-9-28-30-10-15(8-27-20(16)30)13-4-6-32-11-13/h1-12,19H,(H,29,31).
What are the key properties of 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide?
4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 59603856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).