piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C16H14F3N5OS — CID 135300257

IUPACpiperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-8-10(14-20-4-7-26-14)21-13-9-11(22-24(12)13)15(25)23-5-2-1-3-6-23/h4,7-9H,1-3,5-6H2
InChIKeyLTSASTQILUXTRW-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.50
Rot. Bonds2

About piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 135300257) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID135300257
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Namepiperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-8-10(14-20-4-7-26-14)21-13-9-11(22-24(12)13)15(25)23-5-2-1-3-6-23/h4,7-9H,1-3,5-6H2
InChIKeyLTSASTQILUXTRW-UHFFFAOYSA-N
XLogP3.50
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 135300257) is piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nc(-c3nccs3)cc(C(F)(F)F)n2n1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is LTSASTQILUXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c17-16(18,19)12-8-10(14-20-4-7-26-14)21-13-9-11(22-24(12)13)15(25)23-5-2-1-3-6-23/h4,7-9H,1-3,5-6H2.
What are the key properties of piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 135300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).