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

C19H15N5S — CID 666154

IUPAC6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1
InChIInChI=1S/C19H15N5S/c1-11-5-7-13(8-6-11)24-19-16(12(2)23-24)17(15-4-3-9-25-15)14(10-20)18(21)22-19/h3-9H,1-2H3,(H2,21,22)
InChIKeyPXJQOVXFOOJUGE-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.22
Rot. Bonds2

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

6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 666154) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID666154
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1
InChIInChI=1S/C19H15N5S/c1-11-5-7-13(8-6-11)24-19-16(12(2)23-24)17(15-4-3-9-25-15)14(10-20)18(21)22-19/h3-9H,1-2H3,(H2,21,22)
InChIKeyPXJQOVXFOOJUGE-UHFFFAOYSA-N
XLogP4.22
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 666154) is 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1.
What is the InChIKey of 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is PXJQOVXFOOJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-11-5-7-13(8-6-11)24-19-16(12(2)23-24)17(15-4-3-9-25-15)14(10-20)18(21)22-19/h3-9H,1-2H3,(H2,21,22).
What are the key properties of 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 345.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(4-methylphenyl)-4-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 666154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).