4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H19F2N5 — CID 90997642

IUPAC4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3cccc(F)c3F)C2C#N)CC1
InChIInChI=1S/C19H19F2N5/c1-26-7-5-11(6-8-26)18-13(9-22)16(14-10-23-25-19(14)24-18)12-3-2-4-15(20)17(12)21/h2-4,10-11,13,16H,5-8H2,1H3,(H,23,25)
InChIKeyOBUAXAJBBHCPFR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.39
Rot. Bonds2

About 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 90997642) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID90997642
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCN1CCC(C2=Nc3[nH]ncc3C(c3cccc(F)c3F)C2C#N)CC1
InChIInChI=1S/C19H19F2N5/c1-26-7-5-11(6-8-26)18-13(9-22)16(14-10-23-25-19(14)24-18)12-3-2-4-15(20)17(12)21/h2-4,10-11,13,16H,5-8H2,1H3,(H,23,25)
InChIKeyOBUAXAJBBHCPFR-UHFFFAOYSA-N
XLogP3.39
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 90997642) is 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CN1CCC(C2=Nc3[nH]ncc3C(c3cccc(F)c3F)C2C#N)CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is OBUAXAJBBHCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-26-7-5-11(6-8-26)18-13(9-22)16(14-10-23-25-19(14)24-18)12-3-2-4-15(20)17(12)21/h2-4,10-11,13,16H,5-8H2,1H3,(H,23,25).
What are the key properties of 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 355.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 90997642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).