ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

C20H28N4O3 — CID 126742322

IUPACethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)[nH]nc2n1
InChIInChI=1S/C20H28N4O3/c1-3-27-20(25)15-11-16(24-9-7-13(8-10-24)12-26-2)17-18(14-5-4-6-14)22-23-19(17)21-15/h11,13-14H,3-10,12H2,1-2H3,(H,21,22,23)
InChIKeyMHSWNHIPIYTJIN-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.26
Rot. Bonds6

About ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (PubChem CID 126742322) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
PubChem CID126742322
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nameethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)[nH]nc2n1
InChIInChI=1S/C20H28N4O3/c1-3-27-20(25)15-11-16(24-9-7-13(8-10-24)12-26-2)17-18(14-5-4-6-14)22-23-19(17)21-15/h11,13-14H,3-10,12H2,1-2H3,(H,21,22,23)
InChIKeyMHSWNHIPIYTJIN-UHFFFAOYSA-N
XLogP3.26
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (CID 126742322) is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)[nH]nc2n1.
What is the InChIKey of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is MHSWNHIPIYTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-27-20(25)15-11-16(24-9-7-13(8-10-24)12-26-2)17-18(14-5-4-6-14)22-23-19(17)21-15/h11,13-14H,3-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).