1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C10H11N3O2 — CID 102941807

IUPAC1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCCn1ncc2c(C(=O)O)ccnc21
InChIInChI=1S/C10H11N3O2/c1-2-5-13-9-8(6-12-13)7(10(14)15)3-4-11-9/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyFPNKUGLDYOKRGM-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.54
Rot. Bonds3

About 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 102941807) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID102941807
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCCn1ncc2c(C(=O)O)ccnc21
InChIInChI=1S/C10H11N3O2/c1-2-5-13-9-8(6-12-13)7(10(14)15)3-4-11-9/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyFPNKUGLDYOKRGM-UHFFFAOYSA-N
XLogP1.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 58629427
methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 102614521
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 89444200
2-propylpyrazole-3-carboxylic acid
CID 7017775
1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 163705631
(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
CID 105130976
2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 55032246
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
CID 162761081
7-ethyl-1-methylindazole-4-carboxylic acid
CID 142441366

Frequently Asked Questions

What is the IUPAC name of 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 102941807) is 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CCCn1ncc2c(C(=O)O)ccnc21.
What is the InChIKey of 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is FPNKUGLDYOKRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-5-13-9-8(6-12-13)7(10(14)15)3-4-11-9/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 102941807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).