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

C20H21F3N6O2 — CID 110222361

IUPAC[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cnc(OC)nc3)cc2n1
InChIInChI=1S/C20H21F3N6O2/c1-3-13-8-16(20(21,22)23)29-17(26-13)9-14(27-29)15-6-4-5-7-28(15)18(30)12-10-24-19(31-2)25-11-12/h8-11,15H,3-7H2,1-2H3
InChIKeyIHIWHGZRDJAZNF-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.48
Rot. Bonds4

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

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone (PubChem CID 110222361) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
PubChem CID110222361
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cnc(OC)nc3)cc2n1
InChIInChI=1S/C20H21F3N6O2/c1-3-13-8-16(20(21,22)23)29-17(26-13)9-14(27-29)15-6-4-5-7-28(15)18(30)12-10-24-19(31-2)25-11-12/h8-11,15H,3-7H2,1-2H3
InChIKeyIHIWHGZRDJAZNF-UHFFFAOYSA-N
XLogP3.48
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110222447
[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 92588815
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110222345
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670601
1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 92588835
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 46955728
(6-methyl-3-pyridinyl)-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92558857
(3S)-1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588823
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46955739
(3S)-1-[(2R)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588824
[(2S)-2-[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92597389
3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110222380

Frequently Asked Questions

What is the IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone (CID 110222361) is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone.
What is the SMILES notation for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The canonical SMILES for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone is CCc1cc(C(F)(F)F)n2nc(C3CCCCN3C(=O)c3cnc(OC)nc3)cc2n1.
What is the InChIKey of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
The InChIKey is IHIWHGZRDJAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-3-13-8-16(20(21,22)23)29-17(26-13)9-14(27-29)15-6-4-5-7-28(15)18(30)12-10-24-19(31-2)25-11-12/h8-11,15H,3-7H2,1-2H3.
What are the key properties of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone?
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone has a molecular weight of 434.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone is sourced from PubChem (CID 110222361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).