6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C20H20F3N5 — CID 135583764

IUPAC6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3C(F)(F)F)c3cn[nH]c3N2)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/h2-5,11-12,17H,6-9H2,1H3,(H2,25,26,27)
InChIKeyXNVVTXROCZARIC-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.11
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583764) 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]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583764
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=C(C#N)C(c3ccccc3C(F)(F)F)c3cn[nH]c3N2)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/h2-5,11-12,17H,6-9H2,1H3,(H2,25,26,27)
InChIKeyXNVVTXROCZARIC-UHFFFAOYSA-N
XLogP4.11
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583764) is 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=C(C#N)C(c3ccccc3C(F)(F)F)c3cn[nH]c3N2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XNVVTXROCZARIC-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/h2-5,11-12,17H,6-9H2,1H3,(H2,25,26,27).
What are the key properties of 6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(1-methylpiperidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 387.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 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]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).