6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C24H18N4O2 — CID 51348970

IUPAC6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(C)o3)c2C#N)c2ccccc12
InChIInChI=1S/C24H18N4O2/c1-13-8-10-20(30-13)22-18(12-25)23(26-24-21(22)14(2)27-28-24)17-9-11-19(29-3)16-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,26,27,28)
InChIKeyFCCPEURHSPEQMT-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.54
Rot. Bonds3

About 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 51348970) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID51348970
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(C)o3)c2C#N)c2ccccc12
InChIInChI=1S/C24H18N4O2/c1-13-8-10-20(30-13)22-18(12-25)23(26-24-21(22)14(2)27-28-24)17-9-11-19(29-3)16-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,26,27,28)
InChIKeyFCCPEURHSPEQMT-UHFFFAOYSA-N
XLogP5.54
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 51348970) is 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is COc1ccc(-c2nc3n[nH]c(C)c3c(-c3ccc(C)o3)c2C#N)c2ccccc12.
What is the InChIKey of 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is FCCPEURHSPEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-13-8-10-20(30-13)22-18(12-25)23(26-24-21(22)14(2)27-28-24)17-9-11-19(29-3)16-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,26,27,28).
What are the key properties of 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 394.43 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxynaphthalen-1-yl)-3-methyl-4-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 51348970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).