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

C19H18F3N5 — CID 90829424

IUPAC6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3N5/c20-19(21,22)15-4-2-1-3-12(15)16-13(9-23)17(11-5-7-24-8-6-11)26-18-14(16)10-25-27-18/h1-4,10-11,13,16,24H,5-8H2,(H,25,27)
InChIKeyXNUAFIMTUVRVQY-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.79
Rot. Bonds2

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

6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 90829424) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID90829424
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3N5/c20-19(21,22)15-4-2-1-3-12(15)16-13(9-23)17(11-5-7-24-8-6-11)26-18-14(16)10-25-27-18/h1-4,10-11,13,16,24H,5-8H2,(H,25,27)
InChIKeyXNUAFIMTUVRVQY-UHFFFAOYSA-N
XLogP3.79
TPSA76.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 90829424) is 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1ccccc1C(F)(F)F.
What is the InChIKey of 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XNUAFIMTUVRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)15-4-2-1-3-12(15)16-13(9-23)17(11-5-7-24-8-6-11)26-18-14(16)10-25-27-18/h1-4,10-11,13,16,24H,5-8H2,(H,25,27).
What are the key properties of 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 373.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 90829424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).