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

C19H16F3N7O2 — CID 137018292

IUPAC7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4cnccc4C(F)(F)F)no3)c2[nH]1
InChIInChI=1S/C19H16F3N7O2/c20-19(21,22)13-3-6-24-8-11(13)16-27-18(31-28-16)12-9-25-29-14(7-15(30)26-17(12)29)10-1-4-23-5-2-10/h3,6-10,23H,1-2,4-5H2,(H,26,30)
InChIKeyAJIDLFMNKVHZQE-UHFFFAOYSA-N
MW431.38 g/mol
LogP2.62
Rot. Bonds3

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

7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018292) has the molecular formula C19H16F3N7O2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018292
Molecular FormulaC19H16F3N7O2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4cnccc4C(F)(F)F)no3)c2[nH]1
InChIInChI=1S/C19H16F3N7O2/c20-19(21,22)13-3-6-24-8-11(13)16-27-18(31-28-16)12-9-25-29-14(7-15(30)26-17(12)29)10-1-4-23-5-2-10/h3,6-10,23H,1-2,4-5H2,(H,26,30)
InChIKeyAJIDLFMNKVHZQE-UHFFFAOYSA-N
XLogP2.62
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile
CID 56952460
5-[5-[(2R)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952953
N-[1-(4-methylphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554581
5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 66828416
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869799
N-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441513
US11098060, Example 27
CID 137548751
8-[4-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175176
(5R,14R)-8-fluoro-14-methyl-2,10,15,19,20,23-hexazapentacyclo[15.5.2.12,5.06,11.020,24]pentacosa-1(23),6(11),7,9,17(24),18,21-heptaen-16-one
CID 162675002
(R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)-N-(3-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49869936
5-[5-[1-[5-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]pyridin-2-yl]pyrimidin-2-amine
CID 56944126
5-[5-[1-(5-Pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944228

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018292) is 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4cnccc4C(F)(F)F)no3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is AJIDLFMNKVHZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O2/c20-19(21,22)13-3-6-24-8-11(13)16-27-18(31-28-16)12-9-25-29-14(7-15(30)26-17(12)29)10-1-4-23-5-2-10/h3,6-10,23H,1-2,4-5H2,(H,26,30).
What are the key properties of 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 431.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).