(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H15N3O4 — CID 16581588

IUPAC(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)Oc3ccc4ccc(=O)oc4c3)cnc21
InChIInChI=1S/C19H15N3O4/c1-11(2)22-18-13(10-21-22)7-14(9-20-18)19(24)25-15-5-3-12-4-6-17(23)26-16(12)8-15/h3-11H,1-2H3
InChIKeyIVZXAUVZLDCONJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.34
Rot. Bonds3

About (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 16581588) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID16581588
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)Oc3ccc4ccc(=O)oc4c3)cnc21
InChIInChI=1S/C19H15N3O4/c1-11(2)22-18-13(10-21-22)7-14(9-20-18)19(24)25-15-5-3-12-4-6-17(23)26-16(12)8-15/h3-11H,1-2H3
InChIKeyIVZXAUVZLDCONJ-UHFFFAOYSA-N
XLogP3.34
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 16581588) is (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CC(C)n1ncc2cc(C(=O)Oc3ccc4ccc(=O)oc4c3)cnc21.
What is the InChIKey of (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is IVZXAUVZLDCONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-11(2)22-18-13(10-21-22)7-14(9-20-18)19(24)25-15-5-3-12-4-6-17(23)26-16(12)8-15/h3-11H,1-2H3.
What are the key properties of (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
(2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 16581588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).