7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H14F3N5OS — CID 137018671

IUPAC7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C(F)(F)F)cs3)c2[nH]1
InChIInChI=1S/C15H14F3N5OS/c16-15(17,18)11-7-25-14(21-11)9-6-20-23-10(5-12(24)22-13(9)23)8-1-3-19-4-2-8/h5-8,19H,1-4H2,(H,22,24)
InChIKeyOKUOMYWRCDIWNW-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.63
Rot. Bonds2

About 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018671) has the molecular formula C15H14F3N5OS and a molecular weight of 369.37 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018671
Molecular FormulaC15H14F3N5OS
Molecular Weight369.37 g/mol
Exact Mass369.09
IUPAC Name7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(C(F)(F)F)cs3)c2[nH]1
InChIInChI=1S/C15H14F3N5OS/c16-15(17,18)11-7-25-14(21-11)9-6-20-23-10(5-12(24)22-13(9)23)8-1-3-19-4-2-8/h5-8,19H,1-4H2,(H,22,24)
InChIKeyOKUOMYWRCDIWNW-UHFFFAOYSA-N
XLogP2.63
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018671) is 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(C(F)(F)F)cs3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OKUOMYWRCDIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5OS/c16-15(17,18)11-7-25-14(21-11)9-6-20-23-10(5-12(24)22-13(9)23)8-1-3-19-4-2-8/h5-8,19H,1-4H2,(H,22,24).
What are the key properties of 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 369.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).