3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

C24H20ClN7OS — CID 161334615

IUPAC3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(-c2cncs2)nc2n[nH]c(-c3ccco3)c2c1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C24H19N7OS.ClH/c25-12-17-20(15-3-5-16(6-4-15)31-9-7-26-8-10-31)21-23(18-2-1-11-32-18)29-30-24(21)28-22(17)19-13-27-14-33-19;/h1-6,11,13-14,26H,7-10H2,(H,28,29,30);1H
InChIKeyKWGMYFDLVGKKQN-UHFFFAOYSA-N
MW489.99 g/mol
LogP4.71
Rot. Bonds4

About 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 161334615) has the molecular formula C24H20ClN7OS and a molecular weight of 489.99 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID161334615
Molecular FormulaC24H20ClN7OS
Molecular Weight489.99 g/mol
Exact Mass489.11
IUPAC Name3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(-c2cncs2)nc2n[nH]c(-c3ccco3)c2c1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C24H19N7OS.ClH/c25-12-17-20(15-3-5-16(6-4-15)31-9-7-26-8-10-31)21-23(18-2-1-11-32-18)29-30-24(21)28-22(17)19-13-27-14-33-19;/h1-6,11,13-14,26H,7-10H2,(H,28,29,30);1H
InChIKeyKWGMYFDLVGKKQN-UHFFFAOYSA-N
XLogP4.71
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (CID 161334615) is 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is Cl.N#Cc1c(-c2cncs2)nc2n[nH]c(-c3ccco3)c2c1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is KWGMYFDLVGKKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7OS.ClH/c25-12-17-20(15-3-5-16(6-4-15)31-9-7-26-8-10-31)21-23(18-2-1-11-32-18)29-30-24(21)28-22(17)19-13-27-14-33-19;/h1-6,11,13-14,26H,7-10H2,(H,28,29,30);1H.
What are the key properties of 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 489.99 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 161334615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).