3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C16H15F3N6 — CID 44622682

IUPAC3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)10-8-12(14-11-2-1-3-21-15(11)24-23-14)22-13(9-10)25-6-4-20-5-7-25/h1-3,8-9,20H,4-7H2,(H,21,23,24)
InChIKeyPFBLVTCDTIJXBP-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.45
Rot. Bonds2

About 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44622682) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID44622682
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)10-8-12(14-11-2-1-3-21-15(11)24-23-14)22-13(9-10)25-6-4-20-5-7-25/h1-3,8-9,20H,4-7H2,(H,21,23,24)
InChIKeyPFBLVTCDTIJXBP-UHFFFAOYSA-N
XLogP2.45
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(3-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 77384229
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 70929989
1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-(2-methylpropyl)-1,4-diazepan-6-ol
CID 67949785
[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 67949840
3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949679
molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 159854575
1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949978
3,3-difluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]butan-2-ol
CID 67949830
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine
CID 44621872
3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
CID 67949815
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 45107962
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1-phenylethanol
CID 67949892

Frequently Asked Questions

What is the IUPAC name of 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 44622682) is 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1cc(-c2[nH]nc3ncccc23)nc(N2CCNCC2)c1.
What is the InChIKey of 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PFBLVTCDTIJXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)10-8-12(14-11-2-1-3-21-15(11)24-23-14)22-13(9-10)25-6-4-20-5-7-25/h1-3,8-9,20H,4-7H2,(H,21,23,24).
What are the key properties of 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 348.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44622682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).