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1135437-94-3 | 1H-Pyrrolo[2,3-c]pyridin-5-amine, 1-methyl-
CAS No: 1135437-94-3 Catalog No: AG0008XH MDL No:
Product Description
Catalog Number:
AG0008XH
Chemical Name:
1H-Pyrrolo[2,3-c]pyridin-5-amine, 1-methyl-
CAS Number:
1135437-94-3
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
IUPAC Name:
1-methylpyrrolo[2,3-c]pyridin-5-amine
InChI:
InChI=1S/C8H9N3/c1-11-3-2-6-4-8(9)10-5-7(6)11/h2-5H,1H3,(H2,9,10)
InChI Key:
XPGBLTMNJKIDNL-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(c1)ccn2C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Discovery of novel class 1 phosphatidylinositide 3-kinases (PI3K) fragment inhibitors through structure-based virtual screening. | Bioorganic & medicinal chemistry letters 20110115 |
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