1-{4-[(4-{[2-(Isopropylsulfonyl)Phenyl]Amino}-1H-Pyrrolo[2,3-B]Pyridin-6-Yl)Amino]-3-Methoxyphenyl}-4-Piperidinol

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Formula C28H33N5O4S
IUPAC Name 1-[4-[[4-(2-isopropylsulfonylanilino)pyrrolo[2,3-b]pyridin-6-yl]amino]-3-methoxy-phenyl]piperidin-4-ol
Molecular Mass 535.658 g·mol−1
Heat of Formation -314.6 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 627.38 Å 3
Surface Area 527.0 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey NMJMRSQTDLRCRQ-UHFFFAOYSA-N
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