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478043-74-2 | 4-(4-methoxyphenyl)-3-methyl-6-oxo-1-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CAS No: 478043-74-2 Catalog No: AG00ITZC MDL No:MFCD02570799
Product Description
Catalog Number:
AG00ITZC
Chemical Name:
4-(4-methoxyphenyl)-3-methyl-6-oxo-1-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CAS Number:
478043-74-2
Molecular Formula:
C19H20N6O2
Molecular Weight:
364.4011
MDL Number:
MFCD02570799
IUPAC Name:
4-(4-methoxyphenyl)-3-methyl-6-oxo-1-(1,4,5,6-tetrahydropyrimidin-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C19H20N6O2/c1-11-15-16(12-4-6-13(27-2)7-5-12)14(10-20)18(26)23-17(15)25(24-11)19-21-8-3-9-22-19/h4-7,14,16H,3,8-9H2,1-2H3,(H,21,22)(H,23,26)
InChI Key:
FBMPOEWZIALVRW-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)Nc2c(C1c1ccc(cc1)OC)c(C)nn2C1=NCCCN1
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.165g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.409g/mol
Monoisotopic Mass:
364.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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