4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C18H12F3N5OS — CID 25205097

IUPAC4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C18H12F3N5OS/c19-18(20,21)10-24-17(27)15-4-12(9-28-15)14-7-25-26-8-13(6-23-16(14)26)11-2-1-3-22-5-11/h1-9H,10H2,(H,24,27)
InChIKeyGDEGOXINVAEAGP-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.81
Rot. Bonds4

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

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 25205097) has the molecular formula C18H12F3N5OS and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID25205097
Molecular FormulaC18H12F3N5OS
Molecular Weight403.39 g/mol
Exact Mass403.07
IUPAC Name4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C18H12F3N5OS/c19-18(20,21)10-24-17(27)15-4-12(9-28-15)14-7-25-26-8-13(6-23-16(14)26)11-2-1-3-22-5-11/h1-9H,10H2,(H,24,27)
InChIKeyGDEGOXINVAEAGP-UHFFFAOYSA-N
XLogP3.81
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 25205097) is 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1.
What is the InChIKey of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is GDEGOXINVAEAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS/c19-18(20,21)10-24-17(27)15-4-12(9-28-15)14-7-25-26-8-13(6-23-16(14)26)11-2-1-3-22-5-11/h1-9H,10H2,(H,24,27).
What are the key properties of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 25205097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).