Formula |
C23H30N8O2 |
IUPAC Name |
7-cyclopentyl-2-[[1-methyl-5-(4-methylpiperazine-1-carbonyl)pyrrol-3-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide |
Molecular Mass |
450.537 g·mol−1 |
Heat of Formation |
7.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.00 ± 1.08 D |
Volume |
540.34 Å 3 |
Surface Area |
455.82 Å 2 |
HOMO Energy |
-8.13 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CXCXNZWXDOVZBA-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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