[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C19H19F3N4O2 — CID 1164963

IUPAC[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESC[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H](C)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-5-6-25(12(2)8-11)18(27)14-10-17-23-13(15-4-3-7-28-15)9-16(19(20,21)22)26(17)24-14/h3-4,7,9-12H,5-6,8H2,1-2H3/t11-,12+/m1/s1
InChIKeyIOPQGJITFDOYKC-NEPJUHHUSA-N
MW392.38 g/mol
LogP4.27
Rot. Bonds2

About [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 1164963) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID1164963
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESC[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H](C)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-5-6-25(12(2)8-11)18(27)14-10-17-23-13(15-4-3-7-28-15)9-16(19(20,21)22)26(17)24-14/h3-4,7,9-12H,5-6,8H2,1-2H3/t11-,12+/m1/s1
InChIKeyIOPQGJITFDOYKC-NEPJUHHUSA-N
XLogP4.27
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R,6S)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 1164970
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98123847
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 46368154
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98174779
1-(4-aminophenyl)ethanone;5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 162621750
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 2872139
[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 1113980
2-methyl-1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azocane-5-carboxylic acid
CID 143022828
(2-methylpiperidin-1-yl)-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 11407977
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 92736283

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 1164963) is [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H](C)C1.
What is the InChIKey of [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is IOPQGJITFDOYKC-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-5-6-25(12(2)8-11)18(27)14-10-17-23-13(15-4-3-7-28-15)9-16(19(20,21)22)26(17)24-14/h3-4,7,9-12H,5-6,8H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 392.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 1164963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).