5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide

C14H17BrN4O3 — CID 58378019

IUPAC5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCON(C)C(=O)c1nn(C2CCCCO2)c2ncc(Br)cc12
InChIInChI=1S/C14H17BrN4O3/c1-18(21-2)14(20)12-10-7-9(15)8-16-13(10)19(17-12)11-5-3-4-6-22-11/h7-8,11H,3-6H2,1-2H3
InChIKeyDSSCIZMEUBKTDY-UHFFFAOYSA-N
MW369.22 g/mol
LogP2.53
Rot. Bonds3

About 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide

5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 58378019) has the molecular formula C14H17BrN4O3 and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID58378019
Molecular FormulaC14H17BrN4O3
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCON(C)C(=O)c1nn(C2CCCCO2)c2ncc(Br)cc12
InChIInChI=1S/C14H17BrN4O3/c1-18(21-2)14(20)12-10-7-9(15)8-16-13(10)19(17-12)11-5-3-4-6-22-11/h7-8,11H,3-6H2,1-2H3
InChIKeyDSSCIZMEUBKTDY-UHFFFAOYSA-N
XLogP2.53
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 58378019) is 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide is CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is DSSCIZMEUBKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3/c1-18(21-2)14(20)12-10-7-9(15)8-16-13(10)19(17-12)11-5-3-4-6-22-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methoxy-N-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58378019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).