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886444-10-6 | Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CAS No: 886444-10-6 Catalog No: AG004923 MDL No:MFCD23135526
Product Description
Catalog Number:
AG004923
Chemical Name:
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CAS Number:
886444-10-6
Molecular Formula:
C21H16N4O2
Molecular Weight:
356.3773
MDL Number:
MFCD23135526
IUPAC Name:
methyl 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridin-2-yl]benzoate
InChI:
InChI=1S/C21H16N4O2/c1-27-21(26)15-7-5-14(6-8-15)19-12-16(9-11-23-19)17-13-24-25-20(17)18-4-2-3-10-22-18/h2-13H,1H3,(H,24,25)
InChI Key:
OWNLAEXAPHTKPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1nccc(c1)c1c[nH]nc1c1ccccn1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.385g/mol
Monoisotopic Mass:
356.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Discovery of 4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridin-2-yl}-N-(tetrahydro-2H- pyran-4-yl)benzamide (GW788388): a potent, selective, and orally active transforming growth factor-beta type I receptor inhibitor. | Journal of medicinal chemistry 20060406 |
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