4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C11H12F3N5 — CID 138511220

IUPAC4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)7-1-3-19(4-2-7)10-8-5-17-18-9(8)15-6-16-10/h5-7H,1-4H2,(H,15,16,17,18)
InChIKeyPHBANLOIMOZMKF-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.13
Rot. Bonds1

About 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 138511220) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID138511220
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)7-1-3-19(4-2-7)10-8-5-17-18-9(8)15-6-16-10/h5-7H,1-4H2,(H,15,16,17,18)
InChIKeyPHBANLOIMOZMKF-UHFFFAOYSA-N
XLogP2.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
4-[4-(trifluoromethyl)piperidin-1-yl]pteridine
CID 175987024
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155975230
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-[4-(2-iodophenoxy)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133337363
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 138511220) is 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is FC(F)(F)C1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is PHBANLOIMOZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)7-1-3-19(4-2-7)10-8-5-17-18-9(8)15-6-16-10/h5-7H,1-4H2,(H,15,16,17,18).
What are the key properties of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).