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1913252-04-6 | N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS No: 1913252-04-6 Catalog No: AG01ENHT MDL No:
Product Description
Catalog Number:
AG01ENHT
Chemical Name:
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Number:
1913252-04-6
Molecular Formula:
C30H38N8O2
Molecular Weight:
542.6751
IUPAC Name:
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
InChI:
InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)
InChI Key:
LQTWDAYNGMMHLV-UHFFFAOYSA-N
SMILES:
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C
Properties
Complexity:
988
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.312g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
542.688g/mol
Monoisotopic Mass:
542.312g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Oncogenic Deregulation of EZH2 as an Opportunity for Targeted Therapy in Lung Cancer. | Cancer discovery 20160901 |
| An oncogenic Ezh2 mutation induces tumors through global redistribution of histone 3 lysine 27 trimethylation. | Nature medicine 20160601 |
| The soybean answer to food costs. | Dimensions in health service 19760101 |
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