3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C18H18F3N5O — CID 44624517

IUPAC3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc(OCC2CCCNC2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)13-5-6-14(27-10-11-3-1-7-22-9-11)24-16(13)15-12-4-2-8-23-17(12)26-25-15/h2,4-6,8,11,22H,1,3,7,9-10H2,(H,23,25,26)
InChIKeyPVMCGXHXLHSHIS-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.42
Rot. Bonds4

About 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44624517) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID44624517
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc(OCC2CCCNC2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)13-5-6-14(27-10-11-3-1-7-22-9-11)24-16(13)15-12-4-2-8-23-17(12)26-25-15/h2,4-6,8,11,22H,1,3,7,9-10H2,(H,23,25,26)
InChIKeyPVMCGXHXLHSHIS-UHFFFAOYSA-N
XLogP3.42
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 67949840
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 159223444
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-[6-(3-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 77384229
[2-methyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentyl]methanamine;molecular hydrogen
CID 158029333
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 44624811
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 44624808
2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636962
molecular hydrogen;trans-(1S,2R)-2-propyl-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclopentan-1-amine
CID 160716728

Frequently Asked Questions

What is the IUPAC name of 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 44624517) is 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1ccc(OCC2CCCNC2)nc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PVMCGXHXLHSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)13-5-6-14(27-10-11-3-1-7-22-9-11)24-16(13)15-12-4-2-8-23-17(12)26-25-15/h2,4-6,8,11,22H,1,3,7,9-10H2,(H,23,25,26).
What are the key properties of 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 377.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(piperidin-3-ylmethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44624517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).