methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C23H25FN4O3 — CID 126741373

IUPACmethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(CN2CCOCC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H25FN4O3/c1-30-23(29)19-13-16(14-27-9-11-31-12-10-27)20-21(15-3-2-4-15)26-28(22(20)25-19)18-7-5-17(24)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3
InChIKeyOZOFFSONNCOXLY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.45
Rot. Bonds5

About methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741373) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741373
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Namemethyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(CN2CCOCC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H25FN4O3/c1-30-23(29)19-13-16(14-27-9-11-31-12-10-27)20-21(15-3-2-4-15)26-28(22(20)25-19)18-7-5-17(24)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3
InChIKeyOZOFFSONNCOXLY-UHFFFAOYSA-N
XLogP3.45
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741373) is methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(CN2CCOCC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is OZOFFSONNCOXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-30-23(29)19-13-16(14-27-9-11-31-12-10-27)20-21(15-3-2-4-15)26-28(22(20)25-19)18-7-5-17(24)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3.
What are the key properties of methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).