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

C21H24F3N5 — CID 67949900

IUPAC3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)CC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C21H24F3N5/c1-13(2)11-14-5-4-10-29(12-14)17-8-7-16(21(22,23)24)19(26-17)18-15-6-3-9-25-20(15)28-27-18/h3,6-9,13-14H,4-5,10-12H2,1-2H3,(H,25,27,28)
InChIKeyJTPLRVZOYGWTDI-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.30
Rot. Bonds4

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

3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67949900) has the molecular formula C21H24F3N5 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID67949900
Molecular FormulaC21H24F3N5
Molecular Weight403.45 g/mol
Exact Mass403.20
IUPAC Name3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)CC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C21H24F3N5/c1-13(2)11-14-5-4-10-29(12-14)17-8-7-16(21(22,23)24)19(26-17)18-15-6-3-9-25-20(15)28-27-18/h3,6-9,13-14H,4-5,10-12H2,1-2H3,(H,25,27,28)
InChIKeyJTPLRVZOYGWTDI-UHFFFAOYSA-N
XLogP5.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 67949900) is 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)CC1CCCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.
What is the InChIKey of 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JTPLRVZOYGWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5/c1-13(2)11-14-5-4-10-29(12-14)17-8-7-16(21(22,23)24)19(26-17)18-15-6-3-9-25-20(15)28-27-18/h3,6-9,13-14H,4-5,10-12H2,1-2H3,(H,25,27,28).
What are the key properties of 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 403.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(2-methylpropyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67949900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).