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856667-80-6 | Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylicacid, 4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methyl-
CAS No: 856667-80-6 Catalog No: AG004TGJ MDL No:
Product Description
Catalog Number:
AG004TGJ
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylicacid, 4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methyl-
CAS Number:
856667-80-6
Molecular Formula:
C22H17FN6O2
Molecular Weight:
416.4078
IUPAC Name:
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
InChI:
InChI=1S/C22H17FN6O2/c1-13-18(22(30)31)11-29-20(13)21(24-12-26-29)27-17-5-6-19-15(8-17)9-25-28(19)10-14-3-2-4-16(23)7-14/h2-9,11-12H,10H2,1H3,(H,30,31)(H,24,26,27)
InChI Key:
FQERVQREBAPWHR-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Cn1ncc2c1ccc(c2)Nc1ncnn2c1c(C)c(c2)C(=O)O
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.14g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.416g/mol
Monoisotopic Mass:
416.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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