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Home > Pyridines > 1011398-75-6
1011398-75-6 | 4-[4-(methoxycarbonyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
CAS No: 1011398-75-6 Catalog No: AG00JFGH MDL No:MFCD09473501
Product Description
Catalog Number:
AG00JFGH
Chemical Name:
4-[4-(methoxycarbonyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
CAS Number:
1011398-75-6
Molecular Formula:
C22H17N3O4
Molecular Weight:
387.3881
MDL Number:
MFCD09473501
IUPAC Name:
4-(4-methoxycarbonyl-3-methyl-6-phenylpyrazolo[3,4-b]pyridin-1-yl)benzoic acid
InChI:
InChI=1S/C22H17N3O4/c1-13-19-17(22(28)29-2)12-18(14-6-4-3-5-7-14)23-20(19)25(24-13)16-10-8-15(9-11-16)21(26)27/h3-12H,1-2H3,(H,26,27)
InChI Key:
NWOLREUHAIPJIH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc2c1c(C)nn2c1ccc(cc1)C(=O)O)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.395g/mol
Monoisotopic Mass:
387.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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