ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C18H18BrN3O2 — CID 67124343

IUPACethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C18H18BrN3O2/c1-4-24-18(23)14-9-16(12-5-7-13(19)8-6-12)21-17-15(14)10-20-22(17)11(2)3/h5-11H,4H2,1-3H3
InChIKeyRZPPHTBUPDWNEK-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.62
Rot. Bonds4

About ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 67124343) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID67124343
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Nameethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C18H18BrN3O2/c1-4-24-18(23)14-9-16(12-5-7-13(19)8-6-12)21-17-15(14)10-20-22(17)11(2)3/h5-11H,4H2,1-3H3
InChIKeyRZPPHTBUPDWNEK-UHFFFAOYSA-N
XLogP4.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 67124343) is ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2C(C)C.
What is the InChIKey of ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is RZPPHTBUPDWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-4-24-18(23)14-9-16(12-5-7-13(19)8-6-12)21-17-15(14)10-20-22(17)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 388.27 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-bromophenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 67124343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).