3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C24H27N5O3 — CID 126743622

IUPAC3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CC(N3CCOCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H27N5O3/c30-24(31)19-13-20(28-14-18(15-28)27-9-11-32-12-10-27)21-22(16-5-4-6-16)26-29(23(21)25-19)17-7-2-1-3-8-17/h1-3,7-8,13,16,18H,4-6,9-12,14-15H2,(H,30,31)
InChIKeyXUCBOMDQEPLBIG-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.91
Rot. Bonds5

About 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743622) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743622
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CC(N3CCOCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H27N5O3/c30-24(31)19-13-20(28-14-18(15-28)27-9-11-32-12-10-27)21-22(16-5-4-6-16)26-29(23(21)25-19)17-7-2-1-3-8-17/h1-3,7-8,13,16,18H,4-6,9-12,14-15H2,(H,30,31)
InChIKeyXUCBOMDQEPLBIG-UHFFFAOYSA-N
XLogP2.91
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743622) is 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CC(N3CCOCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is XUCBOMDQEPLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-24(31)19-13-20(28-14-18(15-28)27-9-11-32-12-10-27)21-22(16-5-4-6-16)26-29(23(21)25-19)17-7-2-1-3-8-17/h1-3,7-8,13,16,18H,4-6,9-12,14-15H2,(H,30,31).
What are the key properties of 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 433.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).