ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H20N4O3 — CID 162670342

IUPACethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C19H20N4O3/c1-2-26-19(24)16-12-20-18-15(17(16)22-8-10-25-11-9-22)13-21-23(18)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyNBEZZXJUIUMTMY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds4

About ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 162670342) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID162670342
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C19H20N4O3/c1-2-26-19(24)16-12-20-18-15(17(16)22-8-10-25-11-9-22)13-21-23(18)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyNBEZZXJUIUMTMY-UHFFFAOYSA-N
XLogP2.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
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-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 162670342) is ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NBEZZXJUIUMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-26-19(24)16-12-20-18-15(17(16)22-8-10-25-11-9-22)13-21-23(18)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.43, 4 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-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 162670342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).