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

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

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Related Compounds

MLi-2
CID 78319901
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760083
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
Methyl substituted pyrazole, 28
CID 23648676
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Ly-2880070
CID 56968075
2-(5-Fluoropyridin-2-YL)-6,6-dimethyl-3-(1H-pyrazolo[3,4-B]pyridin-4-YL)-6,7-dihydro-4H-pyrazolo[5,1-C][1,4]oxazine
CID 162760632
4-[[3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxymethyl]bicyclo[2.2.2]octan-1-amine
CID 156014397
4-(4-methoxyphenyl)-6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 3244716
5-Phenyl-8-(pyridin-2-ylmethoxy)-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
CID 9864216
3,7-Diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[4,3-b]pyridazine
CID 9917995
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318

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).