(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C22H23N3O4 — CID 42897722

IUPAC(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)C(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-13(2)25-20-17(12-23-25)16(11-18(24-20)14-9-10-14)21(26)29-19(22(27)28-3)15-7-5-4-6-8-15/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeySPMZJVQOSYDSBU-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.96
Rot. Bonds6

About (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 42897722) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID42897722
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)C(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-13(2)25-20-17(12-23-25)16(11-18(24-20)14-9-10-14)21(26)29-19(22(27)28-3)15-7-5-4-6-8-15/h4-8,11-14,19H,9-10H2,1-3H3
InChIKeySPMZJVQOSYDSBU-UHFFFAOYSA-N
XLogP3.96
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 42897722) is (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)C(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is SPMZJVQOSYDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(2)25-20-17(12-23-25)16(11-18(24-20)14-9-10-14)21(26)29-19(22(27)28-3)15-7-5-4-6-8-15/h4-8,11-14,19H,9-10H2,1-3H3.
What are the key properties of (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 42897722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).