ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate

C21H22N4O3 — CID 10959807

IUPACethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C21H22N4O3/c1-2-28-21(26)18-14-22-20-17(19(18)24-10-12-27-13-11-24)15-23-25(20)9-8-16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3/b9-8+
InChIKeyFFOJBGMLEOWOKO-CMDGGOBGSA-N
MW378.43 g/mol
LogP3.07
Rot. Bonds5

About ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10959807) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10959807
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Nameethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C21H22N4O3/c1-2-28-21(26)18-14-22-20-17(19(18)24-10-12-27-13-11-24)15-23-25(20)9-8-16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3/b9-8+
InChIKeyFFOJBGMLEOWOKO-CMDGGOBGSA-N
XLogP3.07
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 10959807) is ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is FFOJBGMLEOWOKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-28-21(26)18-14-22-20-17(19(18)24-10-12-27-13-11-24)15-23-25(20)9-8-16-6-4-3-5-7-16/h3-9,14-15H,2,10-13H2,1H3/b9-8+.
What are the key properties of ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10959807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).