Ethyl 7-Azaindole-4-carboxylate - CAS 1261588-72-0

Catalog:	BB006511
Product Name:	Ethyl 7-Azaindole-4-carboxylate
CAS:	1261588-72-0
Synonyms:	1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid ethyl ester; ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Description:	Ethyl 7-Azaindole-4-carboxylate (CAS# 1261588-72-0 ) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C10H10N2O2
Canonical SMILES:	CCOC(=O)C1=C2C=CNC2=NC=C1
InChI:	InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChI Key:	CKCBQXQNAUHBDX-UHFFFAOYSA-N
Appearance:	White to brown solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD09475793
LogP:	1.73960

Publication Number	Title	Priority Date
WO-2021012049-A1	Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors	20190722
WO-2020087170-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030
EP-3873905-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030
KR-20210097124-A	Compounds, pharmaceutical compositions, and methods of making compounds and methods of using them as ATR kinase inhibitors	20181030
US-2021277002-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5