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

C19H20F3N5O — CID 44624451

IUPAC3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc(OCCC2CCCCN2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(28-11-8-12-4-1-2-9-23-12)25-17(14)16-13-5-3-10-24-18(13)27-26-16/h3,5-7,10,12,23H,1-2,4,8-9,11H2,(H,24,26,27)
InChIKeyZEYXHCXPKFBHAB-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.95
Rot. Bonds5

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

3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44624451) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID44624451
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc(OCCC2CCCCN2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(28-11-8-12-4-1-2-9-23-12)25-17(14)16-13-5-3-10-24-18(13)27-26-16/h3,5-7,10,12,23H,1-2,4,8-9,11H2,(H,24,26,27)
InChIKeyZEYXHCXPKFBHAB-UHFFFAOYSA-N
XLogP3.95
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 44624451) is 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1ccc(OCCC2CCCCN2)nc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZEYXHCXPKFBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)14-6-7-15(28-11-8-12-4-1-2-9-23-12)25-17(14)16-13-5-3-10-24-18(13)27-26-16/h3,5-7,10,12,23H,1-2,4,8-9,11H2,(H,24,26,27).
What are the key properties of 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 391.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44624451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).