Formula |
C24H30FN7O |
IUPAC Name |
[(3s)-3-(dimethylamino)pyrrolidin-1-yl]-[4-[[5-fluoro-4-(3-isopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone |
Molecular Mass |
451.540 g·mol−1 |
Heat of Formation |
-13.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.49 ± 1.08 D |
Volume |
550.94 Å 3 |
Surface Area |
436.78 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
2.06 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [(3s)-3-dimethylamino-1-pyrrolidinyl]-[4-[[5-fluoro-4-(3-isopropyl-2-methyl-4-imidazolyl)-2-pyrimidinyl]amino]phenyl]methanone
- [(3s)-3-dimethylaminopyrrolidin-1-yl]-[4-[[5-fluoro-4-(2-methyl-3-propan-2-yl-imidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
- [(3s)-3-dimethylaminopyrrolidin-1-yl]-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
- [(3s)-3-dimethylaminopyrrolidin-1-yl]-[4-[[5-fluoro-4-(3-isopropyl-2-methyl-imidazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
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InChIKey |
BACSZMCLZIDTIO-IBGZPJMESA-N |
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Links |
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Elements |
H
C
F
O
N
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