methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C23H26N4O2 — CID 126741500

IUPACmethyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCCCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C23H26N4O2/c1-29-23(28)18-15-19(26-13-6-3-7-14-26)20-21(16-9-8-10-16)25-27(22(20)24-18)17-11-4-2-5-12-17/h2,4-5,11-12,15-16H,3,6-10,13-14H2,1H3
InChIKeyGYAYOYUMOWLWLY-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds4

About methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741500) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741500
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Namemethyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(N2CCCCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C23H26N4O2/c1-29-23(28)18-15-19(26-13-6-3-7-14-26)20-21(16-9-8-10-16)25-27(22(20)24-18)17-11-4-2-5-12-17/h2,4-5,11-12,15-16H,3,6-10,13-14H2,1H3
InChIKeyGYAYOYUMOWLWLY-UHFFFAOYSA-N
XLogP4.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741500) is methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(N2CCCCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is GYAYOYUMOWLWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-23(28)18-15-19(26-13-6-3-7-14-26)20-21(16-9-8-10-16)25-27(22(20)24-18)17-11-4-2-5-12-17/h2,4-5,11-12,15-16H,3,6-10,13-14H2,1H3.
What are the key properties of methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 390.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).