7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C15H16ClF3N6O2 — CID 137025936

IUPAC7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1
InChIInChI=1S/C15H15F3N6O2.ClH/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8;/h5,7-8,19H,1-4,6H2,(H,21,25);1H
InChIKeyXVPCZEVOVMLCBP-UHFFFAOYSA-N
MW404.78 g/mol
LogP2.07
Rot. Bonds3

About 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137025936) has the molecular formula C15H16ClF3N6O2 and a molecular weight of 404.78 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137025936
Molecular FormulaC15H16ClF3N6O2
Molecular Weight404.78 g/mol
Exact Mass404.10
IUPAC Name7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1
InChIInChI=1S/C15H15F3N6O2.ClH/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8;/h5,7-8,19H,1-4,6H2,(H,21,25);1H
InChIKeyXVPCZEVOVMLCBP-UHFFFAOYSA-N
XLogP2.07
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride with MolForge

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Related Compounds

US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 289
CID 137018651
US10118930, Example 192
CID 137018727
US10118930, Example 282
CID 137018426
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137025936) is 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2ncc(-c3nnc(CC(F)(F)F)o3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is XVPCZEVOVMLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2.ClH/c16-15(17,18)6-12-22-23-14(26-12)9-7-20-24-10(5-11(25)21-13(9)24)8-1-3-19-4-2-8;/h5,7-8,19H,1-4,6H2,(H,21,25);1H.
What are the key properties of 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 404.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137025936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).