4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H17BrN6 — CID 91521605

IUPAC4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCCN3)C2C#N)c1Br
InChIInChI=1S/C19H17BrN6/c20-17-11(8-21)4-3-5-12(17)16-13(9-22)18(15-6-1-2-7-23-15)25-19-14(16)10-24-26-19/h3-5,10,13,15-16,23H,1-2,6-7H2,(H,24,26)
InChIKeyXKGDOQWCCOHBPW-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.54
Rot. Bonds2

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

4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91521605) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID91521605
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC Name4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCCN3)C2C#N)c1Br
InChIInChI=1S/C19H17BrN6/c20-17-11(8-21)4-3-5-12(17)16-13(9-22)18(15-6-1-2-7-23-15)25-19-14(16)10-24-26-19/h3-5,10,13,15-16,23H,1-2,6-7H2,(H,24,26)
InChIKeyXKGDOQWCCOHBPW-UHFFFAOYSA-N
XLogP3.54
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-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 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91521605) is 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCCN3)C2C#N)c1Br.
What is the InChIKey of 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XKGDOQWCCOHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c20-17-11(8-21)4-3-5-12(17)16-13(9-22)18(15-6-1-2-7-23-15)25-19-14(16)10-24-26-19/h3-5,10,13,15-16,23H,1-2,6-7H2,(H,24,26).
What are the key properties of 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 409.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-cyanophenyl)-6-piperidin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91521605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).