N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C15H22N4O2 — CID 111698244

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)nc2c1cnn2C
InChIInChI=1S/C15H22N4O2/c1-6-19(9-15(3,4)21)14(20)11-7-10(2)17-13-12(11)8-16-18(13)5/h7-8,21H,6,9H2,1-5H3
InChIKeyNIEMUMRDUWCOSX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.51
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111698244) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111698244
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)nc2c1cnn2C
InChIInChI=1S/C15H22N4O2/c1-6-19(9-15(3,4)21)14(20)11-7-10(2)17-13-12(11)8-16-18(13)5/h7-8,21H,6,9H2,1-5H3
InChIKeyNIEMUMRDUWCOSX-UHFFFAOYSA-N
XLogP1.51
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 111698244) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(C)nc2c1cnn2C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NIEMUMRDUWCOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-6-19(9-15(3,4)21)14(20)11-7-10(2)17-13-12(11)8-16-18(13)5/h7-8,21H,6,9H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111698244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).