2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C17H11F3N6OS — CID 167179444

IUPAC2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1csc(-c2cnn3cccnc23)n1
InChIInChI=1S/C17H11F3N6OS/c18-17(19,20)13-3-2-10(6-22-13)7-23-15(27)12-9-28-16(25-12)11-8-24-26-5-1-4-21-14(11)26/h1-6,8-9H,7H2,(H,23,27)
InChIKeyUHAVGLJXUSNKLN-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.20
Rot. Bonds4

About 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 167179444) has the molecular formula C17H11F3N6OS and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID167179444
Molecular FormulaC17H11F3N6OS
Molecular Weight404.38 g/mol
Exact Mass404.07
IUPAC Name2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1csc(-c2cnn3cccnc23)n1
InChIInChI=1S/C17H11F3N6OS/c18-17(19,20)13-3-2-10(6-22-13)7-23-15(27)12-9-28-16(25-12)11-8-24-26-5-1-4-21-14(11)26/h1-6,8-9H,7H2,(H,23,27)
InChIKeyUHAVGLJXUSNKLN-UHFFFAOYSA-N
XLogP3.20
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 167179444) is 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)nc1)c1csc(-c2cnn3cccnc23)n1.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UHAVGLJXUSNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6OS/c18-17(19,20)13-3-2-10(6-22-13)7-23-15(27)12-9-28-16(25-12)11-8-24-26-5-1-4-21-14(11)26/h1-6,8-9H,7H2,(H,23,27).
What are the key properties of 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167179444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).