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Home > Pyridines > 875634-01-8
875634-01-8 | 5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-3-pyridinecarboxamide
CAS No: 875634-01-8 Catalog No: AG01ENNT MDL No:
Product Description
Catalog Number:
AG01ENNT
Chemical Name:
5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-3-pyridinecarboxamide
CAS Number:
875634-01-8
Molecular Formula:
C22H20N4O2
Molecular Weight:
372.4198
IUPAC Name:
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
InChI:
InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)
InChI Key:
GYQRHHQPEMOLKH-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1c[nH]c2c1cc(cn2)c1cncc(c1)C(=O)N(C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.428g/mol
Monoisotopic Mass:
372.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Crystal structure of the T315I mutant of AbI kinase. | Chemical biology & drug design 20070901 |
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