6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C20H20F3N5 — CID 90791845

IUPAC6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3C(F)(F)F)C2C#N)CC1
InChIInChI=1S/C20H20F3N5/c1-28-8-6-12(7-9-28)18-14(10-24)17(15-11-25-27-19(15)26-18)13-4-2-3-5-16(13)20(21,22)23/h2-5,11-12,14,17H,6-9H2,1H3,(H,25,27)
InChIKeyYZMVHBOXSWCUFE-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.13
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 90791845) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID90791845
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3C(F)(F)F)C2C#N)CC1
InChIInChI=1S/C20H20F3N5/c1-28-8-6-12(7-9-28)18-14(10-24)17(15-11-25-27-19(15)26-18)13-4-2-3-5-16(13)20(21,22)23/h2-5,11-12,14,17H,6-9H2,1H3,(H,25,27)
InChIKeyYZMVHBOXSWCUFE-UHFFFAOYSA-N
XLogP4.13
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 90791845) is 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=Nc3[nH]ncc3C(c3ccccc3C(F)(F)F)C2C#N)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is YZMVHBOXSWCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c1-28-8-6-12(7-9-28)18-14(10-24)17(15-11-25-27-19(15)26-18)13-4-2-3-5-16(13)20(21,22)23/h2-5,11-12,14,17H,6-9H2,1H3,(H,25,27).
What are the key properties of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 387.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 90791845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).