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Home > Pyridines > 478047-23-3
478047-23-3 | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile
CAS No: 478047-23-3 Catalog No: AG00IPC6 MDL No:MFCD02571947
Product Description
Catalog Number:
AG00IPC6
Chemical Name:
2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile
CAS Number:
478047-23-3
Molecular Formula:
C14H13N5
Molecular Weight:
251.2865
MDL Number:
MFCD02571947
IUPAC Name:
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[3,4-b]pyridin-1-yl)acetonitrile
InChI:
InChI=1S/C14H13N5/c1-10-9-11(2)16-13-12(10)14(17-19(13)8-5-15)18-6-3-4-7-18/h3-4,6-7,9H,8H2,1-2H3
InChI Key:
AGNYBDJTTMPFHC-UHFFFAOYSA-N
SMILES:
N#CCn1nc(c2c1nc(C)cc2C)n1cccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.293g/mol
Monoisotopic Mass:
251.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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