methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate

C16H21N3O4 — CID 155438556

IUPACmethyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2cn(C3CCOCC3)nc2nc1OC(C)C
InChIInChI=1S/C16H21N3O4/c1-10(2)23-15-13(16(20)21-3)8-11-9-19(18-14(11)17-15)12-4-6-22-7-5-12/h8-10,12H,4-7H2,1-3H3
InChIKeyXTDPYPUEFDZOQI-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate

methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 155438556) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID155438556
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2cn(C3CCOCC3)nc2nc1OC(C)C
InChIInChI=1S/C16H21N3O4/c1-10(2)23-15-13(16(20)21-3)8-11-9-19(18-14(11)17-15)12-4-6-22-7-5-12/h8-10,12H,4-7H2,1-3H3
InChIKeyXTDPYPUEFDZOQI-UHFFFAOYSA-N
XLogP2.36
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate (CID 155438556) is methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate is COC(=O)c1cc2cn(C3CCOCC3)nc2nc1OC(C)C.
What is the InChIKey of methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is XTDPYPUEFDZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10(2)23-15-13(16(20)21-3)8-11-9-19(18-14(11)17-15)12-4-6-22-7-5-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate?
methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 155438556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).