3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine

C22H27F3N6O — CID 166104726

IUPAC3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
SMILESCC1CC(n2ncc3ncc(N4CCCCC4)nc32)C1.COc1cccnc1C(F)(F)F
InChIInChI=1S/C15H21N5.C7H6F3NO/c1-11-7-12(8-11)20-15-13(9-17-20)16-10-14(18-15)19-5-3-2-4-6-19;1-12-5-3-2-4-11-6(5)7(8,9)10/h9-12H,2-8H2,1H3;2-4H,1H3
InChIKeyJQUBVGDTYNINLO-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.90
Rot. Bonds3

About 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine

3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine (PubChem CID 166104726) has the molecular formula C22H27F3N6O and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
PubChem CID166104726
Molecular FormulaC22H27F3N6O
Molecular Weight448.49 g/mol
Exact Mass448.22
IUPAC Name3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
SMILESCC1CC(n2ncc3ncc(N4CCCCC4)nc32)C1.COc1cccnc1C(F)(F)F
InChIInChI=1S/C15H21N5.C7H6F3NO/c1-11-7-12(8-11)20-15-13(9-17-20)16-10-14(18-15)19-5-3-2-4-6-19;1-12-5-3-2-4-11-6(5)7(8,9)10/h9-12H,2-8H2,1H3;2-4H,1H3
InChIKeyJQUBVGDTYNINLO-UHFFFAOYSA-N
XLogP4.90
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105132
1-(1-bicyclo[1.1.1]pentanylmethyl)-6-[(3R,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105273
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
1-(2,2-difluoroethyl)-6-[(2R,5R)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104663
N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 123660110
1-(2,2-difluoroethyl)-6-[4-[1-[2-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104302
2-piperidin-1-yl-3-(trifluoromethyl)quinoxaline
CID 4992006
1-(2-methoxyethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
CID 166104701
1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
CID 166104926
7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174653845
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-[6-[(3S)-3-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]pyrazin-2-yl]-1,3,4-thiadiazole
CID 174214063

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine (CID 166104726) is 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine is CC1CC(n2ncc3ncc(N4CCCCC4)nc32)C1.COc1cccnc1C(F)(F)F.
What is the InChIKey of 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is JQUBVGDTYNINLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.C7H6F3NO/c1-11-7-12(8-11)20-15-13(9-17-20)16-10-14(18-15)19-5-3-2-4-6-19;1-12-5-3-2-4-11-6(5)7(8,9)10/h9-12H,2-8H2,1H3;2-4H,1H3.
What are the key properties of 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 448.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).