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Home > Pyridines > 847572-55-8
847572-55-8 | 4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CAS No: 847572-55-8 Catalog No: AG00J95U MDL No:MFCD06755313
Product Description
Catalog Number:
AG00J95U
Chemical Name:
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CAS Number:
847572-55-8
Molecular Formula:
C19H16N4O2
Molecular Weight:
332.3559
MDL Number:
MFCD06755313
IUPAC Name:
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
InChI:
InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
InChI Key:
ISLQXEIRVZXLJA-UHFFFAOYSA-N
SMILES:
O=c1cc2[nH]n(c(=O)c2c(n1Cc1cccnc1)C)c1ccccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.363g/mol
Monoisotopic Mass:
332.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis. | Journal of medicinal chemistry 20101111 |
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