4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C20H17ClN4O — CID 91133230

IUPAC4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCC1=Nc2n[nH]c(-c3ccco3)c2C(c2ccccc2Cl)C1C#N
InChIInChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,13,17H,2,6H2,1H3,(H,24,25)
InChIKeyCTUYYSGZYAYUMX-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.48
Rot. Bonds4

About 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 91133230) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID91133230
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCC1=Nc2n[nH]c(-c3ccco3)c2C(c2ccccc2Cl)C1C#N
InChIInChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,13,17H,2,6H2,1H3,(H,24,25)
InChIKeyCTUYYSGZYAYUMX-UHFFFAOYSA-N
XLogP5.48
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 91133230) is 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is CCCC1=Nc2n[nH]c(-c3ccco3)c2C(c2ccccc2Cl)C1C#N.
What is the InChIKey of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is CTUYYSGZYAYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-2-6-15-13(11-22)17(12-7-3-4-8-14(12)21)18-19(16-9-5-10-26-16)24-25-20(18)23-15/h3-5,7-10,13,17H,2,6H2,1H3,(H,24,25).
What are the key properties of 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 364.84 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91133230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).