tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate

C17H23N3O4 — CID 94840528

IUPACtert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CO[C@@H]2CCCCO2)c2cccnc21
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(21)20-15-12(7-6-9-18-15)13(19-20)11-23-14-8-4-5-10-22-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRYNOIQCSSSSJMQ-CQSZACIVSA-N
MW333.39 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate

tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate (PubChem CID 94840528) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate
PubChem CID94840528
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CO[C@@H]2CCCCO2)c2cccnc21
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(21)20-15-12(7-6-9-18-15)13(19-20)11-23-14-8-4-5-10-22-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRYNOIQCSSSSJMQ-CQSZACIVSA-N
XLogP3.26
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(cyanomethyl)pyrazolo[3,4-b]pyridine-1-carboxylate
CID 68513219
tert-butyl 3-(bromomethyl)pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-(cyanomethyl)pyrazolo[3,4-b]pyridine-1-carboxylate
CID 161149933
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
diethyl 2-acetamido-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolo[3,4-b]pyridin-3-yl]methyl]propanedioate
CID 71720919
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 57256417
tert-butyl 3-(aminomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 71748494
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
tert-butyl 3-[3-[2-(oxan-2-yloxymethyl)-4-pyridinyl]phenyl]-3-oxopropanoate
CID 69486907
tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 19708832
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate (CID 94840528) is tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate is CC(C)(C)OC(=O)n1nc(CO[C@@H]2CCCCO2)c2cccnc21.
What is the InChIKey of tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate?
The InChIKey is RYNOIQCSSSSJMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)24-16(21)20-15-12(7-6-9-18-15)13(19-20)11-23-14-8-4-5-10-22-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate?
tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate is sourced from PubChem (CID 94840528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).