3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid

C13H11N5O2 — CID 90225370

IUPAC3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1nc(Nc2cnccc2C(=O)O)c2cccnc21
InChIInChI=1S/C13H11N5O2/c1-18-12-9(3-2-5-15-12)11(17-18)16-10-7-14-6-4-8(10)13(19)20/h2-7H,1H3,(H,16,17)(H,19,20)
InChIKeyZNABVSMDKOBVOS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.81
Rot. Bonds3

About 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid

3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 90225370) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID90225370
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1nc(Nc2cnccc2C(=O)O)c2cccnc21
InChIInChI=1S/C13H11N5O2/c1-18-12-9(3-2-5-15-12)11(17-18)16-10-7-14-6-4-8(10)13(19)20/h2-7H,1H3,(H,16,17)(H,19,20)
InChIKeyZNABVSMDKOBVOS-UHFFFAOYSA-N
XLogP1.81
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid (CID 90225370) is 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid is Cn1nc(Nc2cnccc2C(=O)O)c2cccnc21.
What is the InChIKey of 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZNABVSMDKOBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-18-12-9(3-2-5-15-12)11(17-18)16-10-7-14-6-4-8(10)13(19)20/h2-7H,1H3,(H,16,17)(H,19,20).
What are the key properties of 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid?
3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 90225370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).