4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C8H7N5O — CID 135488828

IUPAC4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCn1ncc2c(N)c(C#N)c(=O)[nH]c21
InChIInChI=1S/C8H7N5O/c1-13-7-5(3-11-13)6(10)4(2-9)8(14)12-7/h3H,1H3,(H3,10,12,14)
InChIKeyLHFNXEUTHNHSLY-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.28
Rot. Bonds

About 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135488828) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135488828
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCn1ncc2c(N)c(C#N)c(=O)[nH]c21
InChIInChI=1S/C8H7N5O/c1-13-7-5(3-11-13)6(10)4(2-9)8(14)12-7/h3H,1H3,(H3,10,12,14)
InChIKeyLHFNXEUTHNHSLY-UHFFFAOYSA-N
XLogP-0.28
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135488828) is 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is Cn1ncc2c(N)c(C#N)c(=O)[nH]c21.
What is the InChIKey of 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is LHFNXEUTHNHSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-13-7-5(3-11-13)6(10)4(2-9)8(14)12-7/h3H,1H3,(H3,10,12,14).
What are the key properties of 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 189.18 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135488828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).