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124476-83-1 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4,6-diamino-2,3-dihydro-1-(4-methoxyphenyl)-2-oxo-
CAS No: 124476-83-1 Catalog No: AG000M2Y MDL No:MFCD06660632
Product Description
Catalog Number:
AG000M2Y
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 4,6-diamino-2,3-dihydro-1-(4-methoxyphenyl)-2-oxo-
CAS Number:
124476-83-1
Molecular Formula:
C15H13N5O2
Molecular Weight:
295.2960
MDL Number:
MFCD06660632
IUPAC Name:
4,6-diamino-1-(4-methoxyphenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C15H13N5O2/c1-22-9-4-2-8(3-5-9)20-12(21)6-10-13(17)11(7-16)14(18)19-15(10)20/h2-5H,6H2,1H3,(H4,17,18,19)
InChI Key:
WICJSBXMNSRQKW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=O)Cc2c1nc(N)c(c2N)C#N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.302g/mol
Monoisotopic Mass:
295.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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