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

C19H16BrN5 — CID 91357529

IUPAC4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCC3)C2C#N)c1Br
InChIInChI=1S/C19H16BrN5/c20-17-12(8-21)6-3-7-13(17)16-14(9-22)18(11-4-1-2-5-11)24-19-15(16)10-23-25-19/h3,6-7,10-11,14,16H,1-2,4-5H2,(H,23,25)
InChIKeyHVGXEFSKNIDMPJ-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.59
Rot. Bonds2

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

4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91357529) has the molecular formula C19H16BrN5 and a molecular weight of 394.28 g/mol. Its IUPAC name is 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID91357529
Molecular FormulaC19H16BrN5
Molecular Weight394.28 g/mol
Exact Mass393.06
IUPAC Name4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCC3)C2C#N)c1Br
InChIInChI=1S/C19H16BrN5/c20-17-12(8-21)6-3-7-13(17)16-14(9-22)18(11-4-1-2-5-11)24-19-15(16)10-23-25-19/h3,6-7,10-11,14,16H,1-2,4-5H2,(H,23,25)
InChIKeyHVGXEFSKNIDMPJ-UHFFFAOYSA-N
XLogP4.59
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91357529) is 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cccc(C2c3cn[nH]c3N=C(C3CCCC3)C2C#N)c1Br.
What is the InChIKey of 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is HVGXEFSKNIDMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5/c20-17-12(8-21)6-3-7-13(17)16-14(9-22)18(11-4-1-2-5-11)24-19-15(16)10-23-25-19/h3,6-7,10-11,14,16H,1-2,4-5H2,(H,23,25).
What are the key properties of 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 394.28 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91357529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).