6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

C18H12FN5S — CID 666603

IUPAC6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12
InChIInChI=1S/C18H12FN5S/c1-10-15-16(14-3-2-8-25-14)13(9-20)17(21)22-18(15)24(23-10)12-6-4-11(19)5-7-12/h2-8H,1H3,(H2,21,22)
InChIKeyUBLCHLNCMIOPPV-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.05
Rot. Bonds2

About 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 666603) has the molecular formula C18H12FN5S and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID666603
Molecular FormulaC18H12FN5S
Molecular Weight349.39 g/mol
Exact Mass349.08
IUPAC Name6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12
InChIInChI=1S/C18H12FN5S/c1-10-15-16(14-3-2-8-25-14)13(9-20)17(21)22-18(15)24(23-10)12-6-4-11(19)5-7-12/h2-8H,1H3,(H2,21,22)
InChIKeyUBLCHLNCMIOPPV-UHFFFAOYSA-N
XLogP4.05
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 666603) is 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12.
What is the InChIKey of 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is UBLCHLNCMIOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5S/c1-10-15-16(14-3-2-8-25-14)13(9-20)17(21)22-18(15)24(23-10)12-6-4-11(19)5-7-12/h2-8H,1H3,(H2,21,22).
What are the key properties of 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 666603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).