1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

C21H24F3N5O2 — CID 133497655

IUPAC1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESCC(C)(C)n1ncc2c(N3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)ncnc21
InChIInChI=1S/C21H24F3N5O2/c1-19(2,3)29-18-16(12-27-29)17(25-13-26-18)28-9-7-20(30,8-10-28)14-5-4-6-15(11-14)31-21(22,23)24/h4-6,11-13,30H,7-10H2,1-3H3
InChIKeyAQTAJIJECYMOME-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.97
Rot. Bonds3

About 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (PubChem CID 133497655) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
PubChem CID133497655
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESCC(C)(C)n1ncc2c(N3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)ncnc21
InChIInChI=1S/C21H24F3N5O2/c1-19(2,3)29-18-16(12-27-29)17(25-13-26-18)28-9-7-20(30,8-10-28)14-5-4-6-15(11-14)31-21(22,23)24/h4-6,11-13,30H,7-10H2,1-3H3
InChIKeyAQTAJIJECYMOME-UHFFFAOYSA-N
XLogP3.97
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol with MolForge

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Related Compounds

3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133497718
1-tert-butyl-4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133464925
1-(5-chloro-3-nitro-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497669
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133497686
4-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133497706
4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994954
(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486326
4-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]isoquinoline
CID 100669809
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 133407070

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The IUPAC name of 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (CID 133497655) is 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is CC(C)(C)n1ncc2c(N3CCC(O)(c4cccc(OC(F)(F)F)c4)CC3)ncnc21.
What is the InChIKey of 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The InChIKey is AQTAJIJECYMOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-19(2,3)29-18-16(12-27-29)17(25-13-26-18)28-9-7-20(30,8-10-28)14-5-4-6-15(11-14)31-21(22,23)24/h4-6,11-13,30H,7-10H2,1-3H3.
What are the key properties of 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol has a molecular weight of 435.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 133497655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).