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

C18H9N5O — CID 51348382

IUPAC6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C18H9N5O/c19-8-11-3-5-12(6-4-11)17-13(9-20)16(15-2-1-7-24-15)14-10-21-23-18(14)22-17/h1-7,10H,(H,21,22,23)
InChIKeyANBDRRSVVOLSIK-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.63
Rot. Bonds2

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

6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 51348382) has the molecular formula C18H9N5O and a molecular weight of 311.30 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID51348382
Molecular FormulaC18H9N5O
Molecular Weight311.30 g/mol
Exact Mass311.08
IUPAC Name6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C18H9N5O/c19-8-11-3-5-12(6-4-11)17-13(9-20)16(15-2-1-7-24-15)14-10-21-23-18(14)22-17/h1-7,10H,(H,21,22,23)
InChIKeyANBDRRSVVOLSIK-UHFFFAOYSA-N
XLogP3.63
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 51348382) is 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1ccc(-c2nc3[nH]ncc3c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is ANBDRRSVVOLSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9N5O/c19-8-11-3-5-12(6-4-11)17-13(9-20)16(15-2-1-7-24-15)14-10-21-23-18(14)22-17/h1-7,10H,(H,21,22,23).
What are the key properties of 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 311.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 51348382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).