3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H17N3O3 — CID 145131024

IUPAC3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C2CCOCC2)c2ncc(C(=O)O)c(C)c12
InChIInChI=1S/C14H17N3O3/c1-8-11(14(18)19)7-15-13-12(8)9(2)16-17(13)10-3-5-20-6-4-10/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyNBZWVBGJOWUCHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.10
Rot. Bonds2

About 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 145131024) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID145131024
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C2CCOCC2)c2ncc(C(=O)O)c(C)c12
InChIInChI=1S/C14H17N3O3/c1-8-11(14(18)19)7-15-13-12(8)9(2)16-17(13)10-3-5-20-6-4-10/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyNBZWVBGJOWUCHS-UHFFFAOYSA-N
XLogP2.10
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 145131024) is 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C2CCOCC2)c2ncc(C(=O)O)c(C)c12.
What is the InChIKey of 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is NBZWVBGJOWUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-11(14(18)19)7-15-13-12(8)9(2)16-17(13)10-3-5-20-6-4-10/h7,10H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 145131024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).