4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C14H14F3N7 — CID 71996189

IUPAC4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1cnc(C2CCN(c3ncnc4[nH]ncc34)CC2)[nH]1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)10-6-18-11(22-10)8-1-3-24(4-2-8)13-9-5-21-23-12(9)19-7-20-13/h5-8H,1-4H2,(H,18,22)(H,19,20,21,23)
InChIKeyGTCSHXXYBCTKBC-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.48
Rot. Bonds2

About 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 71996189) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID71996189
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1cnc(C2CCN(c3ncnc4[nH]ncc34)CC2)[nH]1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)10-6-18-11(22-10)8-1-3-24(4-2-8)13-9-5-21-23-12(9)19-7-20-13/h5-8H,1-4H2,(H,18,22)(H,19,20,21,23)
InChIKeyGTCSHXXYBCTKBC-UHFFFAOYSA-N
XLogP2.48
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76325209
1-[3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134473719
6-cyclopentyl-N,1-dimethyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70727318
4-[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 46987154
N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 171359240
3-[3-[[6-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]propanenitrile
CID 54579114
2-[3-[[6-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]acetonitrile
CID 54579115
1-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 54579347
N-(1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 67466518
N6-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68254647
6-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 123700025
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 124107509

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 71996189) is 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is FC(F)(F)c1cnc(C2CCN(c3ncnc4[nH]ncc34)CC2)[nH]1.
What is the InChIKey of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is GTCSHXXYBCTKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c15-14(16,17)10-6-18-11(22-10)8-1-3-24(4-2-8)13-9-5-21-23-12(9)19-7-20-13/h5-8H,1-4H2,(H,18,22)(H,19,20,21,23).
What are the key properties of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 337.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71996189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).