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

C19H20F3N5O — CID 44624735

IUPAC3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCCN1CCCC(Oc2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C19H20F3N5O/c1-2-27-10-4-5-12(11-27)28-15-8-7-14(19(20,21)22)17(24-15)16-13-6-3-9-23-18(13)26-25-16/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,23,25,26)
InChIKeyKYQCTPKUHRZJEA-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.90
Rot. Bonds4

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

3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44624735) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID44624735
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCCN1CCCC(Oc2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C19H20F3N5O/c1-2-27-10-4-5-12(11-27)28-15-8-7-14(19(20,21)22)17(24-15)16-13-6-3-9-23-18(13)26-25-16/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,23,25,26)
InChIKeyKYQCTPKUHRZJEA-UHFFFAOYSA-N
XLogP3.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 44624735) is 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CCN1CCCC(Oc2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.
What is the InChIKey of 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KYQCTPKUHRZJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-2-27-10-4-5-12(11-27)28-15-8-7-14(19(20,21)22)17(24-15)16-13-6-3-9-23-18(13)26-25-16/h3,6-9,12H,2,4-5,10-11H2,1H3,(H,23,25,26).
What are the key properties of 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 391.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-ethylpiperidin-3-yl)oxy-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44624735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).